(3S)-3-(phenylcarbamoylamino)butanamide

C11H15N3O2 — CID 95777024

IUPAC(3S)-3-(phenylcarbamoylamino)butanamide
SMILESC[C@@H](CC(N)=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C11H15N3O2/c1-8(7-10(12)15)13-11(16)14-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,15)(H2,13,14,16)/t8-/m0/s1
InChIKeyVVUHZVZSARALEA-QMMMGPOBSA-N
MW221.26 g/mol
LogP1.07
Rot. Bonds4

About (3S)-3-(phenylcarbamoylamino)butanamide

(3S)-3-(phenylcarbamoylamino)butanamide (PubChem CID 95777024) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (3S)-3-(phenylcarbamoylamino)butanamide.

Molecular Properties

Compound Name(3S)-3-(phenylcarbamoylamino)butanamide
PubChem CID95777024
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(3S)-3-(phenylcarbamoylamino)butanamide
SMILESC[C@@H](CC(N)=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C11H15N3O2/c1-8(7-10(12)15)13-11(16)14-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,15)(H2,13,14,16)/t8-/m0/s1
InChIKeyVVUHZVZSARALEA-QMMMGPOBSA-N
XLogP1.07
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-aminopropan-2-yl)-3-phenylurea
CID 23364218
4-amino-4-oxo-2-(phenylcarbamoylamino)butanoic acid
CID 16772019
1-(4-hydroxybutan-2-yl)-3-phenylurea
CID 78998445
N-(4-amino-4-oxobutan-2-yl)benzamide
CID 47112685
1-pent-4-yn-2-yl-3-phenylurea
CID 115661055
(2-amino-2-oxoethyl) (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617134
3-[(4-ethylphenyl)carbamoylamino]butanoic acid
CID 61190715
phenyl N-(4-amino-4-oxobutan-2-yl)carbamate
CID 115674676
(3S)-3-[(3-sulfamoylphenyl)carbamoylamino]butanoic acid
CID 129366210
(3R)-3-[(3-sulfamoylphenyl)carbamoylamino]butanoic acid
CID 129366211
2-chloro-2-(phenylcarbamoylamino)acetamide
CID 151303607
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616948

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(phenylcarbamoylamino)butanamide?
The IUPAC name of (3S)-3-(phenylcarbamoylamino)butanamide (CID 95777024) is (3S)-3-(phenylcarbamoylamino)butanamide.
What is the SMILES notation for (3S)-3-(phenylcarbamoylamino)butanamide?
The canonical SMILES for (3S)-3-(phenylcarbamoylamino)butanamide is C[C@@H](CC(N)=O)NC(=O)Nc1ccccc1.
What is the InChIKey of (3S)-3-(phenylcarbamoylamino)butanamide?
The InChIKey is VVUHZVZSARALEA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8(7-10(12)15)13-11(16)14-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,15)(H2,13,14,16)/t8-/m0/s1.
What are the key properties of (3S)-3-(phenylcarbamoylamino)butanamide?
(3S)-3-(phenylcarbamoylamino)butanamide has a molecular weight of 221.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(phenylcarbamoylamino)butanamide is sourced from PubChem (CID 95777024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).