2-aminopropanoic acid;naphthalene-1-carboxamide

C14H16N2O3 — CID 174834976

IUPAC2-aminopropanoic acid;naphthalene-1-carboxamide
SMILESCC(N)C(=O)O.NC(=O)c1cccc2ccccc12
InChIInChI=1S/C11H9NO.C3H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;1-2(4)3(5)6/h1-7H,(H2,12,13);2H,4H2,1H3,(H,5,6)
InChIKeyBRXGDFUZKWYQSA-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.36
Rot. Bonds2

About 2-aminopropanoic acid;naphthalene-1-carboxamide

2-aminopropanoic acid;naphthalene-1-carboxamide (PubChem CID 174834976) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-aminopropanoic acid;naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-aminopropanoic acid;naphthalene-1-carboxamide
PubChem CID174834976
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-aminopropanoic acid;naphthalene-1-carboxamide
SMILESCC(N)C(=O)O.NC(=O)c1cccc2ccccc12
InChIInChI=1S/C11H9NO.C3H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;1-2(4)3(5)6/h1-7H,(H2,12,13);2H,4H2,1H3,(H,5,6)
InChIKeyBRXGDFUZKWYQSA-UHFFFAOYSA-N
XLogP1.36
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

CID 129133768
CID 129133768
2-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 140522394
(2S)-2-amino-3-hydroxy-1-naphthalen-1-ylpropan-1-one
CID 173056322
(2S)-2-(naphthalene-1-carbonylamino)propanoic acid
CID 11637328
2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine
CID 158376535
naphthalene-1-carbonitrile;naphthalene-1-carboxamide
CID 158583928
4-amino-1-naphthalen-1-ylpentan-1-one
CID 116571827
2-(naphthalene-1-carbonyl)-3-oxobutanoic acid
CID 53441615
4-amino-2-methyl-1-naphthalen-1-ylbutan-1-one
CID 116595056
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
naphthalene-1-carbonyl iodide
CID 87393513
methyl 2-methyl-3-naphthalen-1-yl-3-oxopropanoate
CID 62715188

Frequently Asked Questions

What is the IUPAC name of 2-aminopropanoic acid;naphthalene-1-carboxamide?
The IUPAC name of 2-aminopropanoic acid;naphthalene-1-carboxamide (CID 174834976) is 2-aminopropanoic acid;naphthalene-1-carboxamide.
What is the SMILES notation for 2-aminopropanoic acid;naphthalene-1-carboxamide?
The canonical SMILES for 2-aminopropanoic acid;naphthalene-1-carboxamide is CC(N)C(=O)O.NC(=O)c1cccc2ccccc12.
What is the InChIKey of 2-aminopropanoic acid;naphthalene-1-carboxamide?
The InChIKey is BRXGDFUZKWYQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO.C3H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;1-2(4)3(5)6/h1-7H,(H2,12,13);2H,4H2,1H3,(H,5,6).
What are the key properties of 2-aminopropanoic acid;naphthalene-1-carboxamide?
2-aminopropanoic acid;naphthalene-1-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropanoic acid;naphthalene-1-carboxamide is sourced from PubChem (CID 174834976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).