(2R)-1-[(2S)-4-methyl-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid

C23H32N4O5 — CID 27506430

IUPAC(2R)-1-[(2S)-4-methyl-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)C[C@H](NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C23H32N4O5/c1-13(2)12-16(21(29)26-11-7-10-18(26)22(30)31)25-23(32)27-17-9-6-5-8-15(17)24-20(28)19(27)14(3)4/h5-6,8-9,13-14,16,18-19H,7,10-12H2,1-4H3,(H,24,28)(H,25,32)(H,30,31)/t16-,18+,19+/m0/s1
InChIKeyHHOKJKXMUMDSCD-QXAKKESOSA-N
MW444.53 g/mol
LogP2.67
Rot. Bonds6

About (2R)-1-[(2S)-4-methyl-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(2S)-4-methyl-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 27506430) has the molecular formula C23H32N4O5 and a molecular weight of 444.53 g/mol. Its IUPAC name is (2R)-1-[(2S)-4-methyl-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(2S)-4-methyl-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid
PubChem CID27506430
Molecular FormulaC23H32N4O5
Molecular Weight444.53 g/mol
Exact Mass444.24
IUPAC Name(2R)-1-[(2S)-4-methyl-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)C[C@H](NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C23H32N4O5/c1-13(2)12-16(21(29)26-11-7-10-18(26)22(30)31)25-23(32)27-17-9-6-5-8-15(17)24-20(28)19(27)14(3)4/h5-6,8-9,13-14,16,18-19H,7,10-12H2,1-4H3,(H,24,28)(H,25,32)(H,30,31)/t16-,18+,19+/m0/s1
InChIKeyHHOKJKXMUMDSCD-QXAKKESOSA-N
XLogP2.67
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[(2S)-4-methyl-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid
CID 44667350
1-[2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 18236759
1-[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 18299751
(2S)-1-[(2R)-2-(benzylsulfonylamino)-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 86700986
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 10388879
(2R)-1-[(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid
CID 7097372
(2R)-1-[(2S)-2-[[(1S)-1-carboxy-3-methylbutyl]carbamoylamino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid
CID 118874135
1-[(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 67652168
(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 175967946
(2R)-1-[(2S)-2-(3-hydroxybutanoylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 71407969
(2S)-N-benzyl-1-[(2S)-2-(cyclopropanecarbonylamino)-4-methylpentanoyl]pyrrolidine-2-carboxamide
CID 53361810
CID 174991169
CID 174991169

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-4-methyl-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(2S)-4-methyl-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid (CID 27506430) is (2R)-1-[(2S)-4-methyl-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(2S)-4-methyl-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(2S)-4-methyl-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid is CC(C)C[C@H](NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[(2S)-4-methyl-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HHOKJKXMUMDSCD-QXAKKESOSA-N. The full InChI is InChI=1S/C23H32N4O5/c1-13(2)12-16(21(29)26-11-7-10-18(26)22(30)31)25-23(32)27-17-9-6-5-8-15(17)24-20(28)19(27)14(3)4/h5-6,8-9,13-14,16,18-19H,7,10-12H2,1-4H3,(H,24,28)(H,25,32)(H,30,31)/t16-,18+,19+/m0/s1.
What are the key properties of (2R)-1-[(2S)-4-methyl-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(2S)-4-methyl-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 444.53 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-4-methyl-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 27506430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).