4-[(4-carbamoylbenzoyl)amino]-2-hydroxybutanoic acid

C12H14N2O5 — CID 107832721

IUPAC4-[(4-carbamoylbenzoyl)amino]-2-hydroxybutanoic acid
SMILESNC(=O)c1ccc(C(=O)NCCC(O)C(=O)O)cc1
InChIInChI=1S/C12H14N2O5/c13-10(16)7-1-3-8(4-2-7)11(17)14-6-5-9(15)12(18)19/h1-4,9,15H,5-6H2,(H2,13,16)(H,14,17)(H,18,19)
InChIKeySDTFYZBAIWHWHW-UHFFFAOYSA-N
MW266.25 g/mol
LogP-0.65
Rot. Bonds6

About 4-[(4-carbamoylbenzoyl)amino]-2-hydroxybutanoic acid

4-[(4-carbamoylbenzoyl)amino]-2-hydroxybutanoic acid (PubChem CID 107832721) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 4-[(4-carbamoylbenzoyl)amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(4-carbamoylbenzoyl)amino]-2-hydroxybutanoic acid
PubChem CID107832721
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name4-[(4-carbamoylbenzoyl)amino]-2-hydroxybutanoic acid
SMILESNC(=O)c1ccc(C(=O)NCCC(O)C(=O)O)cc1
InChIInChI=1S/C12H14N2O5/c13-10(16)7-1-3-8(4-2-7)11(17)14-6-5-9(15)12(18)19/h1-4,9,15H,5-6H2,(H2,13,16)(H,14,17)(H,18,19)
InChIKeySDTFYZBAIWHWHW-UHFFFAOYSA-N
XLogP-0.65
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(aminomethyl)benzoyl]amino]-2-hydroxybutanoic acid
CID 107836274
(2S)-2-hydroxy-4-(pyridine-4-carbonylamino)butanoic acid
CID 107834157
4-[(4-cyanobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832074
4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide
CID 115703395
4-[[(E)-3-(4-carbamoylphenyl)prop-2-enoyl]amino]-2-hydroxybutanoic acid
CID 107831861
(2S)-2-hydroxy-4-[(4-propan-2-yloxybenzoyl)amino]butanoic acid
CID 107833905
(2S)-4-[(3,5-dichlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 107834723
(2S)-2-hydroxy-4-(pyridazine-4-carbonylamino)butanoic acid
CID 107834971
4-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832355
2-hydroxy-4-[(3,4,5-trifluorobenzoyl)amino]butanoic acid
CID 114006336
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215
4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide
CID 154348827

Frequently Asked Questions

What is the IUPAC name of 4-[(4-carbamoylbenzoyl)amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(4-carbamoylbenzoyl)amino]-2-hydroxybutanoic acid (CID 107832721) is 4-[(4-carbamoylbenzoyl)amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(4-carbamoylbenzoyl)amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(4-carbamoylbenzoyl)amino]-2-hydroxybutanoic acid is NC(=O)c1ccc(C(=O)NCCC(O)C(=O)O)cc1.
What is the InChIKey of 4-[(4-carbamoylbenzoyl)amino]-2-hydroxybutanoic acid?
The InChIKey is SDTFYZBAIWHWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c13-10(16)7-1-3-8(4-2-7)11(17)14-6-5-9(15)12(18)19/h1-4,9,15H,5-6H2,(H2,13,16)(H,14,17)(H,18,19).
What are the key properties of 4-[(4-carbamoylbenzoyl)amino]-2-hydroxybutanoic acid?
4-[(4-carbamoylbenzoyl)amino]-2-hydroxybutanoic acid has a molecular weight of 266.25 g/mol, XLogP of -0.65, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carbamoylbenzoyl)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107832721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).