(2S)-2-amino-N-(1-amino-1-oxopropan-2-yl)-3-naphthalen-2-ylpropanamide

C16H19N3O2 — CID 91406698

IUPAC(2S)-2-amino-N-(1-amino-1-oxopropan-2-yl)-3-naphthalen-2-ylpropanamide
SMILESCC(NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(N)=O
InChIInChI=1S/C16H19N3O2/c1-10(15(18)20)19-16(21)14(17)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,10,14H,9,17H2,1H3,(H2,18,20)(H,19,21)/t10?,14-/m0/s1
InChIKeyOAUFSDZUSGSCDV-SBNLOKMTSA-N
MW285.35 g/mol
LogP0.70
Rot. Bonds5

About (2S)-2-amino-N-(1-amino-1-oxopropan-2-yl)-3-naphthalen-2-ylpropanamide

(2S)-2-amino-N-(1-amino-1-oxopropan-2-yl)-3-naphthalen-2-ylpropanamide (PubChem CID 91406698) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-amino-1-oxopropan-2-yl)-3-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-amino-1-oxopropan-2-yl)-3-naphthalen-2-ylpropanamide
PubChem CID91406698
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(2S)-2-amino-N-(1-amino-1-oxopropan-2-yl)-3-naphthalen-2-ylpropanamide
SMILESCC(NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(N)=O
InChIInChI=1S/C16H19N3O2/c1-10(15(18)20)19-16(21)14(17)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,10,14H,9,17H2,1H3,(H2,18,20)(H,19,21)/t10?,14-/m0/s1
InChIKeyOAUFSDZUSGSCDV-SBNLOKMTSA-N
XLogP0.70
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-naphthalen-2-ylpropanamide
CID 167079365
2-amino-N',N'-dimethyl-3-naphthalen-2-ylpropanehydrazide
CID 116849985
(2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide
CID 71163130
(2R)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoic acid
CID 175787823
(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]propanoic acid
CID 175747779
2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one
CID 118082102
2-amino-N-(2-naphthalen-2-ylethyl)propanamide
CID 115152538
methyl 2-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119291012
3-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoyl]amino]-2-oxobutanamide
CID 138480869
(2S)-2-amino-N-[(2R)-1-[[(2R)-1-[[(2S)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]butanamide
CID 10169334
(2S)-2-amino-3-methyl-N-(1-naphthalen-2-yl-3-oxopropan-2-yl)butanamide
CID 54434118
2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid
CID 18223062

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-amino-1-oxopropan-2-yl)-3-naphthalen-2-ylpropanamide?
The IUPAC name of (2S)-2-amino-N-(1-amino-1-oxopropan-2-yl)-3-naphthalen-2-ylpropanamide (CID 91406698) is (2S)-2-amino-N-(1-amino-1-oxopropan-2-yl)-3-naphthalen-2-ylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-amino-1-oxopropan-2-yl)-3-naphthalen-2-ylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(1-amino-1-oxopropan-2-yl)-3-naphthalen-2-ylpropanamide is CC(NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(N)=O.
What is the InChIKey of (2S)-2-amino-N-(1-amino-1-oxopropan-2-yl)-3-naphthalen-2-ylpropanamide?
The InChIKey is OAUFSDZUSGSCDV-SBNLOKMTSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10(15(18)20)19-16(21)14(17)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,10,14H,9,17H2,1H3,(H2,18,20)(H,19,21)/t10?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-amino-1-oxopropan-2-yl)-3-naphthalen-2-ylpropanamide?
(2S)-2-amino-N-(1-amino-1-oxopropan-2-yl)-3-naphthalen-2-ylpropanamide has a molecular weight of 285.35 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-amino-1-oxopropan-2-yl)-3-naphthalen-2-ylpropanamide is sourced from PubChem (CID 91406698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).