(2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid

C19H29N3O4 — CID 51426594

IUPAC(2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C19H29N3O4/c1-12(2)10-15(17(23)21-16(18(24)25)11-13(3)4)22-19(26)20-14-8-6-5-7-9-14/h5-9,12-13,15-16H,10-11H2,1-4H3,(H,21,23)(H,24,25)(H2,20,22,26)/t15-,16+/m0/s1
InChIKeyQDIGQGJGJRNAHT-JKSUJKDBSA-N
MW363.46 g/mol
LogP2.84
Rot. Bonds9

About (2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid

(2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid (PubChem CID 51426594) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is (2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid
PubChem CID51426594
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name(2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C19H29N3O4/c1-12(2)10-15(17(23)21-16(18(24)25)11-13(3)4)22-19(26)20-14-8-6-5-7-9-14/h5-9,12-13,15-16H,10-11H2,1-4H3,(H,21,23)(H,24,25)(H2,20,22,26)/t15-,16+/m0/s1
InChIKeyQDIGQGJGJRNAHT-JKSUJKDBSA-N
XLogP2.84
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(2S)-2-[(4-chlorophenyl)carbamoylamino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 40551472
2-[(3-acetamidophenyl)carbamoylamino]-4-methylpentanoic acid
CID 4909714
(2R)-4-methyl-2-[[(2R)-4-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]pentanoic acid
CID 27209117
methyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate
CID 721455
(2S)-2-[(4-iodophenyl)carbamoylamino]-4-methylpentanoic acid
CID 61184112
4-methyl-2-(pyridin-3-ylcarbamoylamino)pentanoic acid
CID 61187819
(2R)-2-[(3-ethylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 78976235
(2S)-4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanoic acid
CID 71569670
3-(methylamino)-2-(phenylcarbamoylamino)propanoic acid
CID 44607224
4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120516103
(2S)-2-[(4-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 944908
4-methyl-2-[(4-sulfamoylphenyl)carbamoylamino]pentanoic acid
CID 5207855

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid (CID 51426594) is (2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid is CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid?
The InChIKey is QDIGQGJGJRNAHT-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-12(2)10-15(17(23)21-16(18(24)25)11-13(3)4)22-19(26)20-14-8-6-5-7-9-14/h5-9,12-13,15-16H,10-11H2,1-4H3,(H,21,23)(H,24,25)(H2,20,22,26)/t15-,16+/m0/s1.
What are the key properties of (2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid?
(2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid has a molecular weight of 363.46 g/mol, XLogP of 2.84, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid is sourced from PubChem (CID 51426594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).