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

C17H16N2O4 — CID 2520636

IUPAC[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-phenylbenzoate
SMILESC[C@@H](OC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC(N)=O
InChIInChI=1S/C17H16N2O4/c1-11(15(20)19-17(18)22)23-16(21)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H3,18,19,20,22)/t11-/m1/s1
InChIKeyWHESERQNIHONQI-LLVKDONJSA-N
MW312.33 g/mol
LogP2.09
Rot. Bonds4

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

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-phenylbenzoate (PubChem CID 2520636) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-phenylbenzoate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-phenylbenzoate
PubChem CID2520636
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-phenylbenzoate
SMILESC[C@@H](OC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC(N)=O
InChIInChI=1S/C17H16N2O4/c1-11(15(20)19-17(18)22)23-16(21)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H3,18,19,20,22)/t11-/m1/s1
InChIKeyWHESERQNIHONQI-LLVKDONJSA-N
XLogP2.09
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7133584
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-phenylbenzoate
CID 18080375
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 16540210
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 16540114
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 2629299
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate
CID 3681779
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
CID 7488816
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
CID 7488815
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 7797960
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate
CID 7864757
[1-(2,6-diethylanilino)-1-oxopropan-2-yl] 4-phenylbenzoate
CID 5007117
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-phenylbenzoate
CID 7709575

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-phenylbenzoate?
The IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-phenylbenzoate (CID 2520636) is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-phenylbenzoate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-phenylbenzoate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-phenylbenzoate is C[C@@H](OC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC(N)=O.
What is the InChIKey of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-phenylbenzoate?
The InChIKey is WHESERQNIHONQI-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-11(15(20)19-17(18)22)23-16(21)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H3,18,19,20,22)/t11-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-phenylbenzoate?
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-phenylbenzoate has a molecular weight of 312.33 g/mol, XLogP of 2.09, 4 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-phenylbenzoate is sourced from PubChem (CID 2520636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).