(2R)-4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pentanoic acid

C17H23NO3 — CID 78975834

IUPAC(2R)-4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1ccc2c(c1)CCCC2)C(=O)O
InChIInChI=1S/C17H23NO3/c1-11(2)9-15(17(20)21)18-16(19)14-8-7-12-5-3-4-6-13(12)10-14/h7-8,10-11,15H,3-6,9H2,1-2H3,(H,18,19)(H,20,21)/t15-/m1/s1
InChIKeyMSONBMJJKGCRTP-OAHLLOKOSA-N
MW289.38 g/mol
LogP2.79
Rot. Bonds5

About (2R)-4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pentanoic acid

(2R)-4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pentanoic acid (PubChem CID 78975834) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2R)-4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pentanoic acid
PubChem CID78975834
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name(2R)-4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1ccc2c(c1)CCCC2)C(=O)O
InChIInChI=1S/C17H23NO3/c1-11(2)9-15(17(20)21)18-16(19)14-8-7-12-5-3-4-6-13(12)10-14/h7-8,10-11,15H,3-6,9H2,1-2H3,(H,18,19)(H,20,21)/t15-/m1/s1
InChIKeyMSONBMJJKGCRTP-OAHLLOKOSA-N
XLogP2.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pentanoic 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)-2-(2,3-dihydro-1H-indene-5-carbonylamino)butanedioic acid
CID 112732992
3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 43240739
N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95358601
(2R)-2-[(4-aminobenzoyl)amino]-4-methylpentanoic acid
CID 78975427
(2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid
CID 78976000
(2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 78975640
(2R)-2-[(3,4-difluorobenzoyl)amino]-4-methylpentanoic acid
CID 42256010
(2R)-4-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid
CID 102710687
(2S)-2-[(4-amino-3-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 59813104
(2S)-2-[(4-ethylbenzoyl)amino]-4-methylpentanoic acid
CID 971688
(2S)-2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119361717
2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119188047

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pentanoic acid (CID 78975834) is (2R)-4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pentanoic acid is CC(C)C[C@@H](NC(=O)c1ccc2c(c1)CCCC2)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pentanoic acid?
The InChIKey is MSONBMJJKGCRTP-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23NO3/c1-11(2)9-15(17(20)21)18-16(19)14-8-7-12-5-3-4-6-13(12)10-14/h7-8,10-11,15H,3-6,9H2,1-2H3,(H,18,19)(H,20,21)/t15-/m1/s1.
What are the key properties of (2R)-4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pentanoic acid?
(2R)-4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pentanoic acid has a molecular weight of 289.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pentanoic acid is sourced from PubChem (CID 78975834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).