2-[amino(naphthalen-1-yl)amino]propanoic acid

C13H14N2O2 — CID 68905230

IUPAC2-[amino(naphthalen-1-yl)amino]propanoic acid
SMILESCC(C(=O)O)N(N)c1cccc2ccccc12
InChIInChI=1S/C13H14N2O2/c1-9(13(16)17)15(14)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,14H2,1H3,(H,16,17)
InChIKeyDNIFHMZTVZPEHP-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.99
Rot. Bonds3

About 2-[amino(naphthalen-1-yl)amino]propanoic acid

2-[amino(naphthalen-1-yl)amino]propanoic acid (PubChem CID 68905230) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[amino(naphthalen-1-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[amino(naphthalen-1-yl)amino]propanoic acid
PubChem CID68905230
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-[amino(naphthalen-1-yl)amino]propanoic acid
SMILESCC(C(=O)O)N(N)c1cccc2ccccc12
InChIInChI=1S/C13H14N2O2/c1-9(13(16)17)15(14)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,14H2,1H3,(H,16,17)
InChIKeyDNIFHMZTVZPEHP-UHFFFAOYSA-N
XLogP1.99
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[naphthalen-1-yl(propyl)amino]propanoic acid
CID 125045111
(2S)-2-[naphthalen-1-yl(phenylmethoxycarbonyl)amino]propanoic acid
CID 18638332
2-methyl-3-[naphthalen-1-yl(propan-2-yl)amino]propanoic acid
CID 82318728
(2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 94522375
1,3-dimethyl-1-naphthalen-1-yl-3-[(1S)-1-phenylethyl]urea
CID 102087616
methyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate
CID 138084079
1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea
CID 11403549
2-[methyl-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid
CID 67597873
2-methyl-3-[2-methylprop-2-enyl(naphthalen-1-yl)amino]propanoic acid
CID 82319684
(2R)-2-amino-N-ethyl-3-methyl-N-naphthalen-1-ylbutanamide
CID 79011768
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162
(2S)-2-[[(2S)-2-[[(2S)-2-[acetyl(naphthalen-1-yl)amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 70188576

Frequently Asked Questions

What is the IUPAC name of 2-[amino(naphthalen-1-yl)amino]propanoic acid?
The IUPAC name of 2-[amino(naphthalen-1-yl)amino]propanoic acid (CID 68905230) is 2-[amino(naphthalen-1-yl)amino]propanoic acid.
What is the SMILES notation for 2-[amino(naphthalen-1-yl)amino]propanoic acid?
The canonical SMILES for 2-[amino(naphthalen-1-yl)amino]propanoic acid is CC(C(=O)O)N(N)c1cccc2ccccc12.
What is the InChIKey of 2-[amino(naphthalen-1-yl)amino]propanoic acid?
The InChIKey is DNIFHMZTVZPEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9(13(16)17)15(14)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,14H2,1H3,(H,16,17).
What are the key properties of 2-[amino(naphthalen-1-yl)amino]propanoic acid?
2-[amino(naphthalen-1-yl)amino]propanoic acid has a molecular weight of 230.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(naphthalen-1-yl)amino]propanoic acid is sourced from PubChem (CID 68905230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).