(2S)-2-[(4-chlorophenyl)carbamoyloxy]propanoic acid

C10H10ClNO4 — CID 11042957

IUPAC(2S)-2-[(4-chlorophenyl)carbamoyloxy]propanoic acid
SMILESC[C@H](OC(=O)Nc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H10ClNO4/c1-6(9(13)14)16-10(15)12-8-4-2-7(11)3-5-8/h2-6H,1H3,(H,12,15)(H,13,14)/t6-/m0/s1
InChIKeyTUINOQPCJSDSDF-LURJTMIESA-N
MW243.65 g/mol
LogP2.36
Rot. Bonds3

About (2S)-2-[(4-chlorophenyl)carbamoyloxy]propanoic acid

(2S)-2-[(4-chlorophenyl)carbamoyloxy]propanoic acid (PubChem CID 11042957) has the molecular formula C10H10ClNO4 and a molecular weight of 243.65 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)carbamoyloxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)carbamoyloxy]propanoic acid
PubChem CID11042957
Molecular FormulaC10H10ClNO4
Molecular Weight243.65 g/mol
Exact Mass243.03
IUPAC Name(2S)-2-[(4-chlorophenyl)carbamoyloxy]propanoic acid
SMILESC[C@H](OC(=O)Nc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H10ClNO4/c1-6(9(13)14)16-10(15)12-8-4-2-7(11)3-5-8/h2-6H,1H3,(H,12,15)(H,13,14)/t6-/m0/s1
InChIKeyTUINOQPCJSDSDF-LURJTMIESA-N
XLogP2.36
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl N-(4-chlorophenyl)carbamate
CID 16712
[(2S)-butan-2-yl] N-(4-chlorophenyl)carbamate
CID 124748954
[(1R)-1-(4-chlorophenyl)ethyl] N-(4-methylphenyl)carbamate
CID 2485585
2-[(3,4-diethoxyphenyl)carbamoyloxy]propanoic acid
CID 86079719
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782489
[(2S)-1-chloro-3-phenoxypropan-2-yl] N-(4-chlorophenyl)carbamate
CID 27161633
(2R,3R)-2,3-diacetyloxy-4-(4-chloroanilino)-4-oxobutanoic acid
CID 7188884
2,3-diacetyloxy-4-(4-chloroanilino)-4-oxobutanoic acid
CID 2806166
2-[(4-chlorophenyl)carbamoyloxy]-3-methylidenenonanoic acid
CID 174281041
2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate
CID 3115307
2-[(4-chlorophenyl)carbamothioylamino]propanoic acid
CID 87649515

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)carbamoyloxy]propanoic acid?
The IUPAC name of (2S)-2-[(4-chlorophenyl)carbamoyloxy]propanoic acid (CID 11042957) is (2S)-2-[(4-chlorophenyl)carbamoyloxy]propanoic acid.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)carbamoyloxy]propanoic acid?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)carbamoyloxy]propanoic acid is C[C@H](OC(=O)Nc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)carbamoyloxy]propanoic acid?
The InChIKey is TUINOQPCJSDSDF-LURJTMIESA-N. The full InChI is InChI=1S/C10H10ClNO4/c1-6(9(13)14)16-10(15)12-8-4-2-7(11)3-5-8/h2-6H,1H3,(H,12,15)(H,13,14)/t6-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)carbamoyloxy]propanoic acid?
(2S)-2-[(4-chlorophenyl)carbamoyloxy]propanoic acid has a molecular weight of 243.65 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)carbamoyloxy]propanoic acid is sourced from PubChem (CID 11042957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).