[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate

C11H11ClN2O4 — CID 2629299

IUPAC[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
SMILESC[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)NC(N)=O
InChIInChI=1S/C11H11ClN2O4/c1-6(9(15)14-11(13)17)18-10(16)7-2-4-8(12)5-3-7/h2-6H,1H3,(H3,13,14,15,17)/t6-/m1/s1
InChIKeyGHFVCVQQZHCTIL-ZCFIWIBFSA-N
MW270.67 g/mol
LogP1.08
Rot. Bonds3

About [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate (PubChem CID 2629299) has the molecular formula C11H11ClN2O4 and a molecular weight of 270.67 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
PubChem CID2629299
Molecular FormulaC11H11ClN2O4
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
SMILESC[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)NC(N)=O
InChIInChI=1S/C11H11ClN2O4/c1-6(9(15)14-11(13)17)18-10(16)7-2-4-8(12)5-3-7/h2-6H,1H3,(H3,13,14,15,17)/t6-/m1/s1
InChIKeyGHFVCVQQZHCTIL-ZCFIWIBFSA-N
XLogP1.08
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 16540210
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 16540114
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate
CID 16540386
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate
CID 7864757
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
CID 46790569
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate
CID 3681779
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7133584
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-phenylbenzoate
CID 2520636
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
CID 7488816
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
CID 7488815
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-amino-5-chlorobenzoate
CID 60626647
N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4815395

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate?
The IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate (CID 2629299) is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate is C[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)NC(N)=O.
What is the InChIKey of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate?
The InChIKey is GHFVCVQQZHCTIL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H11ClN2O4/c1-6(9(15)14-11(13)17)18-10(16)7-2-4-8(12)5-3-7/h2-6H,1H3,(H3,13,14,15,17)/t6-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate?
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate has a molecular weight of 270.67 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate is sourced from PubChem (CID 2629299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).