(2R)-2-[[(2R)-2-[(3-amino-3-oxopropyl)amino]-3-methylbutanoyl]amino]-4-methyl-N-phenylpentanamide

C20H32N4O3 — CID 129407669

IUPAC(2R)-2-[[(2R)-2-[(3-amino-3-oxopropyl)amino]-3-methylbutanoyl]amino]-4-methyl-N-phenylpentanamide
SMILESCC(C)C[C@@H](NC(=O)[C@H](NCCC(N)=O)C(C)C)C(=O)Nc1ccccc1
InChIInChI=1S/C20H32N4O3/c1-13(2)12-16(19(26)23-15-8-6-5-7-9-15)24-20(27)18(14(3)4)22-11-10-17(21)25/h5-9,13-14,16,18,22H,10-12H2,1-4H3,(H2,21,25)(H,23,26)(H,24,27)/t16-,18-/m1/s1
InChIKeyPGQXESHWNNKZJB-SJLPKXTDSA-N
MW376.50 g/mol
LogP1.65
Rot. Bonds11

About (2R)-2-[[(2R)-2-[(3-amino-3-oxopropyl)amino]-3-methylbutanoyl]amino]-4-methyl-N-phenylpentanamide

(2R)-2-[[(2R)-2-[(3-amino-3-oxopropyl)amino]-3-methylbutanoyl]amino]-4-methyl-N-phenylpentanamide (PubChem CID 129407669) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-[(3-amino-3-oxopropyl)amino]-3-methylbutanoyl]amino]-4-methyl-N-phenylpentanamide.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-[(3-amino-3-oxopropyl)amino]-3-methylbutanoyl]amino]-4-methyl-N-phenylpentanamide
PubChem CID129407669
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name(2R)-2-[[(2R)-2-[(3-amino-3-oxopropyl)amino]-3-methylbutanoyl]amino]-4-methyl-N-phenylpentanamide
SMILESCC(C)C[C@@H](NC(=O)[C@H](NCCC(N)=O)C(C)C)C(=O)Nc1ccccc1
InChIInChI=1S/C20H32N4O3/c1-13(2)12-16(19(26)23-15-8-6-5-7-9-15)24-20(27)18(14(3)4)22-11-10-17(21)25/h5-9,13-14,16,18,22H,10-12H2,1-4H3,(H2,21,25)(H,23,26)(H,24,27)/t16-,18-/m1/s1
InChIKeyPGQXESHWNNKZJB-SJLPKXTDSA-N
XLogP1.65
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[(2R)-2-[(3-amino-3-oxopropyl)amino]-3-methylbutanoyl]amino]-4-methyl-N-phenylpentanamide with MolForge

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Related Compounds

2-[[(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]propanoic acid
CID 10249027
anilino (2R)-2-[[(2R)-2-(2-hydroxyethylamino)-3-methylbutanoyl]amino]-4-methylpentanoate
CID 133120887
2-[(2-amino-2-methylpropanoyl)amino]-4-methyl-N-phenylpentanamide
CID 67891223
(2S)-2-(carbamoylamino)-4-methyl-N-(4-phenoxyphenyl)pentanamide
CID 7824756
(2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid
CID 51426594
methyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate
CID 721455
N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide
CID 46467490
(2S)-2-(chloroamino)-3-methyl-N-phenylbutanamide
CID 88902411
(2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride
CID 119785060
N-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 134045604
N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 40701331
(2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide
CID 7910463

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-[(3-amino-3-oxopropyl)amino]-3-methylbutanoyl]amino]-4-methyl-N-phenylpentanamide?
The IUPAC name of (2R)-2-[[(2R)-2-[(3-amino-3-oxopropyl)amino]-3-methylbutanoyl]amino]-4-methyl-N-phenylpentanamide (CID 129407669) is (2R)-2-[[(2R)-2-[(3-amino-3-oxopropyl)amino]-3-methylbutanoyl]amino]-4-methyl-N-phenylpentanamide.
What is the SMILES notation for (2R)-2-[[(2R)-2-[(3-amino-3-oxopropyl)amino]-3-methylbutanoyl]amino]-4-methyl-N-phenylpentanamide?
The canonical SMILES for (2R)-2-[[(2R)-2-[(3-amino-3-oxopropyl)amino]-3-methylbutanoyl]amino]-4-methyl-N-phenylpentanamide is CC(C)C[C@@H](NC(=O)[C@H](NCCC(N)=O)C(C)C)C(=O)Nc1ccccc1.
What is the InChIKey of (2R)-2-[[(2R)-2-[(3-amino-3-oxopropyl)amino]-3-methylbutanoyl]amino]-4-methyl-N-phenylpentanamide?
The InChIKey is PGQXESHWNNKZJB-SJLPKXTDSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-13(2)12-16(19(26)23-15-8-6-5-7-9-15)24-20(27)18(14(3)4)22-11-10-17(21)25/h5-9,13-14,16,18,22H,10-12H2,1-4H3,(H2,21,25)(H,23,26)(H,24,27)/t16-,18-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-[(3-amino-3-oxopropyl)amino]-3-methylbutanoyl]amino]-4-methyl-N-phenylpentanamide?
(2R)-2-[[(2R)-2-[(3-amino-3-oxopropyl)amino]-3-methylbutanoyl]amino]-4-methyl-N-phenylpentanamide has a molecular weight of 376.50 g/mol, XLogP of 1.65, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-[(3-amino-3-oxopropyl)amino]-3-methylbutanoyl]amino]-4-methyl-N-phenylpentanamide is sourced from PubChem (CID 129407669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).