(2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid

C15H16N2O4 — CID 107823831

IUPAC(2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid
SMILESO=C(Nc1cccc2ccccc12)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C15H16N2O4/c18-9-8-13(14(19)20)17-15(21)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13,18H,8-9H2,(H,19,20)(H2,16,17,21)/t13-/m0/s1
InChIKeyICPYQZOXEHNGCX-ZDUSSCGKSA-N
MW288.30 g/mol
LogP1.80
Rot. Bonds5

About (2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid

(2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid (PubChem CID 107823831) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid
PubChem CID107823831
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name(2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid
SMILESO=C(Nc1cccc2ccccc12)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C15H16N2O4/c18-9-8-13(14(19)20)17-15(21)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13,18H,8-9H2,(H,19,20)(H2,16,17,21)/t13-/m0/s1
InChIKeyICPYQZOXEHNGCX-ZDUSSCGKSA-N
XLogP1.80
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(naphthalen-1-ylcarbamoylamino)pentanedioic acid
CID 95559600
(2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid
CID 40606625
(2R)-4-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 107823520
2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 103480767
2-[(2-cyanophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 61229493
(2R)-2-[(2-bromo-3-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107828556
2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid
CID 13306003
2-[[2-(difluoromethoxy)phenyl]carbamoylamino]-4-hydroxybutanoic acid
CID 61227372
(2S)-3-hydroxy-2-(isoquinolin-5-ylcarbamoylamino)propanoic acid
CID 61204121
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
(2R)-4-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]butanoic acid
CID 114005731

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid (CID 107823831) is (2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid is O=C(Nc1cccc2ccccc12)N[C@@H](CCO)C(=O)O.
What is the InChIKey of (2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid?
The InChIKey is ICPYQZOXEHNGCX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-9-8-13(14(19)20)17-15(21)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13,18H,8-9H2,(H,19,20)(H2,16,17,21)/t13-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid?
(2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid has a molecular weight of 288.30 g/mol, XLogP of 1.80, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 107823831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).