2-(naphthalen-1-yloxycarbonylamino)acetic acid

C13H11NO4 — CID 82294572

IUPAC2-(naphthalen-1-yloxycarbonylamino)acetic acid
SMILESO=C(O)CNC(=O)Oc1cccc2ccccc12
InChIInChI=1S/C13H11NO4/c15-12(16)8-14-13(17)18-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,14,17)(H,15,16)
InChIKeyVVHTXHVDGKCSGL-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.01
Rot. Bonds3

About 2-(naphthalen-1-yloxycarbonylamino)acetic acid

2-(naphthalen-1-yloxycarbonylamino)acetic acid (PubChem CID 82294572) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-(naphthalen-1-yloxycarbonylamino)acetic acid.

Molecular Properties

Compound Name2-(naphthalen-1-yloxycarbonylamino)acetic acid
PubChem CID82294572
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name2-(naphthalen-1-yloxycarbonylamino)acetic acid
SMILESO=C(O)CNC(=O)Oc1cccc2ccccc12
InChIInChI=1S/C13H11NO4/c15-12(16)8-14-13(17)18-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,14,17)(H,15,16)
InChIKeyVVHTXHVDGKCSGL-UHFFFAOYSA-N
XLogP2.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

naphthalen-1-yl N-methylcarbamate
CID 23447097
calcium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173073118
magnesium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173327127
4-naphthalen-1-yloxy-3,4-dioxobutanoic acid
CID 54039245
2-O-naphthalen-1-yl 1-O-phenyl oxalate
CID 57149132
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
1-O-methyl 4-O-naphthalen-1-yl butanedioate
CID 6611153
naphthalen-1-yl 2-chloroacetate
CID 588968
naphthalen-1-yl prop-2-enoate
CID 10192638
dinaphthalen-1-yl dodecanedioate
CID 14512922
naphthalen-1-yl N-methyl-N-methylsulfanylcarbamate
CID 71356284
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-yloxycarbonylamino)acetic acid?
The IUPAC name of 2-(naphthalen-1-yloxycarbonylamino)acetic acid (CID 82294572) is 2-(naphthalen-1-yloxycarbonylamino)acetic acid.
What is the SMILES notation for 2-(naphthalen-1-yloxycarbonylamino)acetic acid?
The canonical SMILES for 2-(naphthalen-1-yloxycarbonylamino)acetic acid is O=C(O)CNC(=O)Oc1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-yloxycarbonylamino)acetic acid?
The InChIKey is VVHTXHVDGKCSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c15-12(16)8-14-13(17)18-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,14,17)(H,15,16).
What are the key properties of 2-(naphthalen-1-yloxycarbonylamino)acetic acid?
2-(naphthalen-1-yloxycarbonylamino)acetic acid has a molecular weight of 245.23 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-yloxycarbonylamino)acetic acid is sourced from PubChem (CID 82294572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).