2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid

C19H22N2O4 — CID 122366195

IUPAC2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid
SMILESCC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NCC(=O)O
InChIInChI=1S/C19H22N2O4/c1-12(2)18(19(25)20-11-17(23)24)21-16(22)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,18H,10-11H2,1-2H3,(H,20,25)(H,21,22)(H,23,24)/t18-/m0/s1
InChIKeyGRPDNEDTTRNSQY-SFHVURJKSA-N
MW342.40 g/mol
LogP1.72
Rot. Bonds7

About 2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid

2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid (PubChem CID 122366195) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid
PubChem CID122366195
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid
SMILESCC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NCC(=O)O
InChIInChI=1S/C19H22N2O4/c1-12(2)18(19(25)20-11-17(23)24)21-16(22)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,18H,10-11H2,1-2H3,(H,20,25)(H,21,22)(H,23,24)/t18-/m0/s1
InChIKeyGRPDNEDTTRNSQY-SFHVURJKSA-N
XLogP1.72
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 2084038
(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)butanamide
CID 25354479
(2R)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 26002941
phenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
CID 9138862
3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-2-ylmethyl)butanamide
CID 17474218
(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-2-ylmethyl)butanamide
CID 9206028
N-[(2S)-3-methyl-1-(2-methyl-2-phenylhydrazinyl)-1-oxobutan-2-yl]-2-naphthalen-1-ylacetamide
CID 9479838
(2S)-N-(3,5-dimethylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 7611312
(2S)-N-(4-tert-butylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 7610874
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
(2S)-N-(3-methoxyphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 7999144

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid (CID 122366195) is 2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid is CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid?
The InChIKey is GRPDNEDTTRNSQY-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12(2)18(19(25)20-11-17(23)24)21-16(22)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,18H,10-11H2,1-2H3,(H,20,25)(H,21,22)(H,23,24)/t18-/m0/s1.
What are the key properties of 2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid?
2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid has a molecular weight of 342.40 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid is sourced from PubChem (CID 122366195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).