[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium

C17H19ClN3O2+ — CID 8599214

IUPAC[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
SMILESC[C@@H]([NH2+][C@H](C(=O)NC(N)=O)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClN3O2/c1-11(13-8-5-9-14(18)10-13)20-15(16(22)21-17(19)23)12-6-3-2-4-7-12/h2-11,15,20H,1H3,(H3,19,21,22,23)/p+1/t11-,15+/m1/s1
InChIKeyQJWZXWHMJDHVGI-ABAIWWIYSA-O
MW332.81 g/mol
LogP1.90
Rot. Bonds5

About [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium

[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium (PubChem CID 8599214) has the molecular formula C17H19ClN3O2+ and a molecular weight of 332.81 g/mol. Its IUPAC name is [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium.

Molecular Properties

Compound Name[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
PubChem CID8599214
Molecular FormulaC17H19ClN3O2+
Molecular Weight332.81 g/mol
Exact Mass332.12
IUPAC Name[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
SMILESC[C@@H]([NH2+][C@H](C(=O)NC(N)=O)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClN3O2/c1-11(13-8-5-9-14(18)10-13)20-15(16(22)21-17(19)23)12-6-3-2-4-7-12/h2-11,15,20H,1H3,(H3,19,21,22,23)/p+1/t11-,15+/m1/s1
InChIKeyQJWZXWHMJDHVGI-ABAIWWIYSA-O
XLogP1.90
TPSA88.80 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-1-(3-chlorophenyl)ethyl]-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]azanium
CID 9307429
(2S)-N-carbamoyl-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-phenylacetamide
CID 8599213
[(1S)-1-(3-chlorophenyl)ethyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
CID 8599390
[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
CID 8774439
2-(carbamoylamino)-N-[1-(3-chlorophenyl)ethyl]propanamide
CID 47097502
[(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-[(1S)-1-phenylethyl]azanium
CID 8898657
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
CID 46790569
3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide
CID 80552689
3-(3-chlorophenyl)butanoic acid
CID 71683749
(2S)-2-[2-(3-chlorophenyl)propanoylamino]propanoic acid
CID 119943058
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
CID 81372048
(3S)-3-(3-chlorophenyl)-3-phenylpropanamide
CID 125467279

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium?
The IUPAC name of [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium (CID 8599214) is [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium.
What is the SMILES notation for [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium?
The canonical SMILES for [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium is C[C@@H]([NH2+][C@H](C(=O)NC(N)=O)c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium?
The InChIKey is QJWZXWHMJDHVGI-ABAIWWIYSA-O. The full InChI is InChI=1S/C17H18ClN3O2/c1-11(13-8-5-9-14(18)10-13)20-15(16(22)21-17(19)23)12-6-3-2-4-7-12/h2-11,15,20H,1H3,(H3,19,21,22,23)/p+1/t11-,15+/m1/s1.
What are the key properties of [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium?
[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium has a molecular weight of 332.81 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium is sourced from PubChem (CID 8599214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).