(2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride

C12H19ClN4O2 — CID 119277862

IUPAC(2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride
SMILESCC(C)[C@H](N)C(=O)Nc1cccc(NC(N)=O)c1.Cl
InChIInChI=1S/C12H18N4O2.ClH/c1-7(2)10(13)11(17)15-8-4-3-5-9(6-8)16-12(14)18;/h3-7,10H,13H2,1-2H3,(H,15,17)(H3,14,16,18);1H/t10-;/m0./s1
InChIKeyDQWMAXLHSZHVKT-PPHPATTJSA-N
MW286.76 g/mol
LogP1.52
Rot. Bonds4

About (2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride

(2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride (PubChem CID 119277862) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride
PubChem CID119277862
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name(2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride
SMILESCC(C)[C@H](N)C(=O)Nc1cccc(NC(N)=O)c1.Cl
InChIInChI=1S/C12H18N4O2.ClH/c1-7(2)10(13)11(17)15-8-4-3-5-9(6-8)16-12(14)18;/h3-7,10H,13H2,1-2H3,(H,15,17)(H3,14,16,18);1H/t10-;/m0./s1
InChIKeyDQWMAXLHSZHVKT-PPHPATTJSA-N
XLogP1.52
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
CID 61252448
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
(2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide
CID 79013260
2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76888107
(2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 28973657
2-amino-3-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide;hydrochloride
CID 119293956
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-methylbutanamide
CID 61179301
N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119702019
2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride
CID 119277909
3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide
CID 62670686
2-amino-N-[3-(carbamoylamino)phenyl]butanamide
CID 43710987
(2S)-2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 22690700

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride (CID 119277862) is (2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride is CC(C)[C@H](N)C(=O)Nc1cccc(NC(N)=O)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride?
The InChIKey is DQWMAXLHSZHVKT-PPHPATTJSA-N. The full InChI is InChI=1S/C12H18N4O2.ClH/c1-7(2)10(13)11(17)15-8-4-3-5-9(6-8)16-12(14)18;/h3-7,10H,13H2,1-2H3,(H,15,17)(H3,14,16,18);1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride?
(2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 1.52, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119277862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).