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

C15H16N2O4 — CID 107835055

IUPAC2-hydroxy-4-(naphthalen-1-ylcarbamoylamino)butanoic acid
SMILESO=C(NCCC(O)C(=O)O)Nc1cccc2ccccc12
InChIInChI=1S/C15H16N2O4/c18-13(14(19)20)8-9-16-15(21)17-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13,18H,8-9H2,(H,19,20)(H2,16,17,21)
InChIKeyMBYHJJPGWUIYHL-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.80
Rot. Bonds5

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

2-hydroxy-4-(naphthalen-1-ylcarbamoylamino)butanoic acid (PubChem CID 107835055) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-hydroxy-4-(naphthalen-1-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(naphthalen-1-ylcarbamoylamino)butanoic acid
PubChem CID107835055
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-hydroxy-4-(naphthalen-1-ylcarbamoylamino)butanoic acid
SMILESO=C(NCCC(O)C(=O)O)Nc1cccc2ccccc12
InChIInChI=1S/C15H16N2O4/c18-13(14(19)20)8-9-16-15(21)17-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13,18H,8-9H2,(H,19,20)(H2,16,17,21)
InChIKeyMBYHJJPGWUIYHL-UHFFFAOYSA-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

(2S)-4-[(2-chlorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 114006714
(2S)-2-hydroxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 107835137
4-[(2-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107840119
1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
2-hydroxy-4-(naphthalene-1-carbonylamino)butanoic acid
CID 107832638
1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
CID 62667648
(2S)-2-hydroxy-4-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 107837911
2-hydroxy-3-(naphthalen-1-ylcarbamoylamino)propanamide
CID 107258515
1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664928
(2S)-2-hydroxy-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]butanoic acid
CID 107841438
1-(2-hydroxypropyl)-3-naphthalen-1-ylurea
CID 17468556
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(naphthalen-1-ylcarbamoylamino)butanoic acid?
The IUPAC name of 2-hydroxy-4-(naphthalen-1-ylcarbamoylamino)butanoic acid (CID 107835055) is 2-hydroxy-4-(naphthalen-1-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 2-hydroxy-4-(naphthalen-1-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 2-hydroxy-4-(naphthalen-1-ylcarbamoylamino)butanoic acid is O=C(NCCC(O)C(=O)O)Nc1cccc2ccccc12.
What is the InChIKey of 2-hydroxy-4-(naphthalen-1-ylcarbamoylamino)butanoic acid?
The InChIKey is MBYHJJPGWUIYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-13(14(19)20)8-9-16-15(21)17-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13,18H,8-9H2,(H,19,20)(H2,16,17,21).
What are the key properties of 2-hydroxy-4-(naphthalen-1-ylcarbamoylamino)butanoic acid?
2-hydroxy-4-(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 2-hydroxy-4-(naphthalen-1-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 107835055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).