2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid

C21H26N2O4 — CID 119237542

IUPAC2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid
SMILESCC(CNC(=O)C(NC(=O)Cc1ccc2ccccc2c1)C(C)C)C(=O)O
InChIInChI=1S/C21H26N2O4/c1-13(2)19(20(25)22-12-14(3)21(26)27)23-18(24)11-15-8-9-16-6-4-5-7-17(16)10-15/h4-10,13-14,19H,11-12H2,1-3H3,(H,22,25)(H,23,24)(H,26,27)
InChIKeyBPVNDHMWDOUSEI-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.36
Rot. Bonds8

About 2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid

2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid (PubChem CID 119237542) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid
PubChem CID119237542
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid
SMILESCC(CNC(=O)C(NC(=O)Cc1ccc2ccccc2c1)C(C)C)C(=O)O
InChIInChI=1S/C21H26N2O4/c1-13(2)19(20(25)22-12-14(3)21(26)27)23-18(24)11-15-8-9-16-6-4-5-7-17(16)10-15/h4-10,13-14,19H,11-12H2,1-3H3,(H,22,25)(H,23,24)(H,26,27)
InChIKeyBPVNDHMWDOUSEI-UHFFFAOYSA-N
XLogP2.36
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide;hydrochloride
CID 120653472
3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60575785
N-[2-(3,5-difluorophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60610137
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide
CID 60575847
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60580471
3-methyl-N-(1-methylpyrazol-4-yl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60578734
4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid
CID 18070230
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 51125355
N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119382456
(2S)-N-(2-imidazol-1-ylethyl)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 94649304
3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide
CID 120829738
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-piperidin-3-ylethyl)butanamide
CID 119558247

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid (CID 119237542) is 2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid is CC(CNC(=O)C(NC(=O)Cc1ccc2ccccc2c1)C(C)C)C(=O)O.
What is the InChIKey of 2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid?
The InChIKey is BPVNDHMWDOUSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-13(2)19(20(25)22-12-14(3)21(26)27)23-18(24)11-15-8-9-16-6-4-5-7-17(16)10-15/h4-10,13-14,19H,11-12H2,1-3H3,(H,22,25)(H,23,24)(H,26,27).
What are the key properties of 2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid?
2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid has a molecular weight of 370.45 g/mol, XLogP of 2.36, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid is sourced from PubChem (CID 119237542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).