(2S)-2-(naphthalene-1-carbonylamino)propanoic acid

C14H13NO3 — CID 11637328

IUPAC(2S)-2-(naphthalene-1-carbonylamino)propanoic acid
SMILESC[C@H](NC(=O)c1cccc2ccccc12)C(=O)O
InChIInChI=1S/C14H13NO3/c1-9(14(17)18)15-13(16)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,15,16)(H,17,18)/t9-/m0/s1
InChIKeyXKPDGUIRFZFOCU-VIFPVBQESA-N
MW243.26 g/mol
LogP2.04
Rot. Bonds3

About (2S)-2-(naphthalene-1-carbonylamino)propanoic acid

(2S)-2-(naphthalene-1-carbonylamino)propanoic acid (PubChem CID 11637328) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is (2S)-2-(naphthalene-1-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(naphthalene-1-carbonylamino)propanoic acid
PubChem CID11637328
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name(2S)-2-(naphthalene-1-carbonylamino)propanoic acid
SMILESC[C@H](NC(=O)c1cccc2ccccc12)C(=O)O
InChIInChI=1S/C14H13NO3/c1-9(14(17)18)15-13(16)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,15,16)(H,17,18)/t9-/m0/s1
InChIKeyXKPDGUIRFZFOCU-VIFPVBQESA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(naphthalene-1-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]propanoic acid
CID 77473542
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid
CID 70817249
(2R)-2-(quinoline-5-carbonylamino)propanoic acid
CID 54990837
N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]naphthalene-1-carboxamide
CID 95160649
2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 24709135
(2S)-2-[(2-aminobenzoyl)amino]propanoic acid
CID 25068369
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
(2S)-2-(1H-indole-4-carbonylamino)propanoic acid
CID 93286189
N-(5-bromopentan-2-yl)naphthalene-1-carboxamide
CID 113276035
2-[[1-[(2R)-4-phenylbutan-2-yl]oxynaphthalene-2-carbonyl]amino]propanoic acid
CID 69081541
N-[(2S)-1-oxo-1-(2-phenoxyanilino)propan-2-yl]naphthalene-1-carboxamide
CID 169183052

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(naphthalene-1-carbonylamino)propanoic acid?
The IUPAC name of (2S)-2-(naphthalene-1-carbonylamino)propanoic acid (CID 11637328) is (2S)-2-(naphthalene-1-carbonylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(naphthalene-1-carbonylamino)propanoic acid?
The canonical SMILES for (2S)-2-(naphthalene-1-carbonylamino)propanoic acid is C[C@H](NC(=O)c1cccc2ccccc12)C(=O)O.
What is the InChIKey of (2S)-2-(naphthalene-1-carbonylamino)propanoic acid?
The InChIKey is XKPDGUIRFZFOCU-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13NO3/c1-9(14(17)18)15-13(16)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,15,16)(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-2-(naphthalene-1-carbonylamino)propanoic acid?
(2S)-2-(naphthalene-1-carbonylamino)propanoic acid has a molecular weight of 243.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(naphthalene-1-carbonylamino)propanoic acid is sourced from PubChem (CID 11637328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).