(2S)-2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide;hydrochloride

C13H19ClN4O2 — CID 119276073

IUPAC(2S)-2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)Nc1ccc(N2CCNC2=O)cc1.Cl
InChIInChI=1S/C13H18N4O2.ClH/c1-2-11(14)12(18)16-9-3-5-10(6-4-9)17-8-7-15-13(17)19;/h3-6,11H,2,7-8,14H2,1H3,(H,15,19)(H,16,18);1H/t11-;/m0./s1
InChIKeyKGEACHVFHMBYJE-MERQFXBCSA-N
MW298.77 g/mol
LogP1.31
Rot. Bonds4

About (2S)-2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide;hydrochloride

(2S)-2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide;hydrochloride (PubChem CID 119276073) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide;hydrochloride
PubChem CID119276073
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name(2S)-2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)Nc1ccc(N2CCNC2=O)cc1.Cl
InChIInChI=1S/C13H18N4O2.ClH/c1-2-11(14)12(18)16-9-3-5-10(6-4-9)17-8-7-15-13(17)19;/h3-6,11H,2,7-8,14H2,1H3,(H,15,19)(H,16,18);1H/t11-;/m0./s1
InChIKeyKGEACHVFHMBYJE-MERQFXBCSA-N
XLogP1.31
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119276066
(2S)-2-amino-3,3-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 61178236
2-(carbamoylamino)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 60707218
2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 43709823
(2S)-2-amino-N-[4-(azepan-1-yl)phenyl]butanamide
CID 79022944
1-ethyl-1-methyl-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 78917136
(2S)-2-amino-N-[4-(triazol-2-yl)phenyl]butanamide
CID 79025065
(2S)-2-amino-N-[3-(2-oxoimidazolidin-1-yl)phenyl]hexanamide
CID 103831459
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]propanamide
CID 110666666
N-[4-(2-oxoimidazolidin-1-yl)phenyl]but-2-ynamide
CID 107989836
2-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]pentanamide;hydrochloride
CID 119338335
N-[1-oxo-1-[4-(2-oxoimidazolidin-1-yl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 51300241

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide;hydrochloride (CID 119276073) is (2S)-2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide;hydrochloride is CC[C@H](N)C(=O)Nc1ccc(N2CCNC2=O)cc1.Cl.
What is the InChIKey of (2S)-2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide;hydrochloride?
The InChIKey is KGEACHVFHMBYJE-MERQFXBCSA-N. The full InChI is InChI=1S/C13H18N4O2.ClH/c1-2-11(14)12(18)16-9-3-5-10(6-4-9)17-8-7-15-13(17)19;/h3-6,11H,2,7-8,14H2,1H3,(H,15,19)(H,16,18);1H/t11-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide;hydrochloride?
(2S)-2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119276073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).