[1-(carbamoylamino)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate

C12H14N2O5 — CID 3681779

IUPAC[1-(carbamoylamino)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate
SMILESCC(OC(=O)c1ccc(CO)cc1)C(=O)NC(N)=O
InChIInChI=1S/C12H14N2O5/c1-7(10(16)14-12(13)18)19-11(17)9-4-2-8(6-15)3-5-9/h2-5,7,15H,6H2,1H3,(H3,13,14,16,18)
InChIKeyWVXIDBMWAOTUEN-UHFFFAOYSA-N
MW266.25 g/mol
LogP-0.08
Rot. Bonds4

About [1-(carbamoylamino)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate

[1-(carbamoylamino)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate (PubChem CID 3681779) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is [1-(carbamoylamino)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate.

Molecular Properties

Compound Name[1-(carbamoylamino)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate
PubChem CID3681779
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name[1-(carbamoylamino)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate
SMILESCC(OC(=O)c1ccc(CO)cc1)C(=O)NC(N)=O
InChIInChI=1S/C12H14N2O5/c1-7(10(16)14-12(13)18)19-11(17)9-4-2-8(6-15)3-5-9/h2-5,7,15H,6H2,1H3,(H3,13,14,16,18)
InChIKeyWVXIDBMWAOTUEN-UHFFFAOYSA-N
XLogP-0.08
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-(carbamoylamino)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate with MolForge

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Related Compounds

[(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] 4-fluorobenzoate
CID 16540114
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 16540210
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 2629299
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7133584
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-phenylbenzoate
CID 2520636
propan-2-yl 4-(hydroxymethyl)benzoate
CID 78907782
N-carbamoyl-2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082828
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate
CID 7864757
[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 4-(hydroxymethyl)benzoate
CID 2538186
[(2S)-1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl] 4-(hydroxymethyl)benzoate
CID 8524874

Frequently Asked Questions

What is the IUPAC name of [1-(carbamoylamino)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate?
The IUPAC name of [1-(carbamoylamino)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate (CID 3681779) is [1-(carbamoylamino)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate.
What is the SMILES notation for [1-(carbamoylamino)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate?
The canonical SMILES for [1-(carbamoylamino)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate is CC(OC(=O)c1ccc(CO)cc1)C(=O)NC(N)=O.
What is the InChIKey of [1-(carbamoylamino)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate?
The InChIKey is WVXIDBMWAOTUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-7(10(16)14-12(13)18)19-11(17)9-4-2-8(6-15)3-5-9/h2-5,7,15H,6H2,1H3,(H3,13,14,16,18).
What are the key properties of [1-(carbamoylamino)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate?
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate has a molecular weight of 266.25 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(carbamoylamino)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate is sourced from PubChem (CID 3681779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).