[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate

C11H12N2O5 — CID 7797960

IUPAC[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
SMILESC[C@H](OC(=O)c1ccccc1O)C(=O)NC(N)=O
InChIInChI=1S/C11H12N2O5/c1-6(9(15)13-11(12)17)18-10(16)7-4-2-3-5-8(7)14/h2-6,14H,1H3,(H3,12,13,15,17)/t6-/m0/s1
InChIKeyLAXMNXVIXVQRTP-LURJTMIESA-N
MW252.23 g/mol
LogP0.13
Rot. Bonds3

About [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate (PubChem CID 7797960) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
PubChem CID7797960
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
SMILESC[C@H](OC(=O)c1ccccc1O)C(=O)NC(N)=O
InChIInChI=1S/C11H12N2O5/c1-6(9(15)13-11(12)17)18-10(16)7-4-2-3-5-8(7)14/h2-6,14H,1H3,(H3,12,13,15,17)/t6-/m0/s1
InChIKeyLAXMNXVIXVQRTP-LURJTMIESA-N
XLogP0.13
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7553067
[(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 41197894
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7468177
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenylethyl)benzoate
CID 2609828
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate
CID 16540386
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 7484464
[(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-hydroxybenzoate
CID 7797799
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-methoxynaphthalene-1-carboxylate
CID 8597104
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-methoxynaphthalene-1-carboxylate
CID 8597103
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate
CID 2595758
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-phenylbenzoate
CID 2520636
[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 40812442

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate?
The IUPAC name of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate (CID 7797960) is [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate.
What is the SMILES notation for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate?
The canonical SMILES for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate is C[C@H](OC(=O)c1ccccc1O)C(=O)NC(N)=O.
What is the InChIKey of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate?
The InChIKey is LAXMNXVIXVQRTP-LURJTMIESA-N. The full InChI is InChI=1S/C11H12N2O5/c1-6(9(15)13-11(12)17)18-10(16)7-4-2-3-5-8(7)14/h2-6,14H,1H3,(H3,12,13,15,17)/t6-/m0/s1.
What are the key properties of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate?
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate has a molecular weight of 252.23 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate is sourced from PubChem (CID 7797960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).