3-(naphthalen-2-yloxycarbonylamino)propanoic acid

C14H13NO4 — CID 82300933

IUPAC3-(naphthalen-2-yloxycarbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C14H13NO4/c16-13(17)7-8-15-14(18)19-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2,(H,15,18)(H,16,17)
InChIKeyLCAOBNHQDVBWAH-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.40
Rot. Bonds4

About 3-(naphthalen-2-yloxycarbonylamino)propanoic acid

3-(naphthalen-2-yloxycarbonylamino)propanoic acid (PubChem CID 82300933) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-(naphthalen-2-yloxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(naphthalen-2-yloxycarbonylamino)propanoic acid
PubChem CID82300933
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name3-(naphthalen-2-yloxycarbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C14H13NO4/c16-13(17)7-8-15-14(18)19-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2,(H,15,18)(H,16,17)
InChIKeyLCAOBNHQDVBWAH-UHFFFAOYSA-N
XLogP2.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

naphthalen-2-yl N-prop-2-enylcarbamate
CID 71396312
3-[(4-ethoxyphenoxy)carbonylamino]propanoic acid
CID 95462842
8-naphthalen-2-yloxy-8-oxooctanoic acid
CID 70617046
3-(2-naphthalen-2-ylethylamino)propanoic acid
CID 115218333
3-[(4-chloro-3,5-dimethylphenoxy)carbonylamino]propanoic acid
CID 82306170
naphthalen-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 57153097
naphthalen-2-yl 3-aminopropanoate
CID 82113672
7-naphthalen-2-yloxyheptanoic acid
CID 39371628
phenyl N-(2-hydroxyethyl)carbamate
CID 10932043
naphthalen-2-yl 3-sulfanylpropanoate
CID 169079274
3-(quinolin-8-yloxycarbonylamino)propanoic acid
CID 116819716
2-methylidene-4-[(3-phenylphenoxy)carbonylamino]butanoic acid
CID 67360995

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-2-yloxycarbonylamino)propanoic acid?
The IUPAC name of 3-(naphthalen-2-yloxycarbonylamino)propanoic acid (CID 82300933) is 3-(naphthalen-2-yloxycarbonylamino)propanoic acid.
What is the SMILES notation for 3-(naphthalen-2-yloxycarbonylamino)propanoic acid?
The canonical SMILES for 3-(naphthalen-2-yloxycarbonylamino)propanoic acid is O=C(O)CCNC(=O)Oc1ccc2ccccc2c1.
What is the InChIKey of 3-(naphthalen-2-yloxycarbonylamino)propanoic acid?
The InChIKey is LCAOBNHQDVBWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-13(17)7-8-15-14(18)19-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2,(H,15,18)(H,16,17).
What are the key properties of 3-(naphthalen-2-yloxycarbonylamino)propanoic acid?
3-(naphthalen-2-yloxycarbonylamino)propanoic acid has a molecular weight of 259.26 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-yloxycarbonylamino)propanoic acid is sourced from PubChem (CID 82300933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).