(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]propanamide;hydrochloride

C13H20ClN3O2 — CID 119337389

IUPAC(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)N(CC(N)=O)[C@H](C)c1ccccc1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-9(14)13(18)16(8-12(15)17)10(2)11-6-4-3-5-7-11;/h3-7,9-10H,8,14H2,1-2H3,(H2,15,17);1H/t9-,10+;/m0./s1
InChIKeyZYAHSBYKZMGZAW-BAUSSPIASA-N
MW285.78 g/mol
LogP0.83
Rot. Bonds5

About (2S)-2-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]propanamide;hydrochloride

(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]propanamide;hydrochloride (PubChem CID 119337389) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]propanamide;hydrochloride
PubChem CID119337389
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)N(CC(N)=O)[C@H](C)c1ccccc1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-9(14)13(18)16(8-12(15)17)10(2)11-6-4-3-5-7-11;/h3-7,9-10H,8,14H2,1-2H3,(H2,15,17);1H/t9-,10+;/m0./s1
InChIKeyZYAHSBYKZMGZAW-BAUSSPIASA-N
XLogP0.83
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]propanamide;hydrochloride with MolForge

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Related Compounds

N-(2-amino-2-oxoethyl)-2-(methylamino)-N-[(1R)-1-phenylethyl]acetamide
CID 119807877
(2S)-2-amino-N,N-bis[(1S)-1-phenylethyl]propanamide
CID 101049938
N-(2-amino-2-oxoethyl)-N-(1-phenylethyl)thiophene-2-carboxamide;benzene
CID 144888104
3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide
CID 62877996
2-(aminomethyl)-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 119807887
3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119807872
3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide
CID 119807871
(2S)-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-phenylacetamide
CID 66657977
2-amino-N-butyl-N-(1-phenylethyl)pentanamide
CID 119331563
2-amino-N-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119271101
3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119737212
N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 101427107

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]propanamide;hydrochloride (CID 119337389) is (2S)-2-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]propanamide;hydrochloride is C[C@H](N)C(=O)N(CC(N)=O)[C@H](C)c1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]propanamide;hydrochloride?
The InChIKey is ZYAHSBYKZMGZAW-BAUSSPIASA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-9(14)13(18)16(8-12(15)17)10(2)11-6-4-3-5-7-11;/h3-7,9-10H,8,14H2,1-2H3,(H2,15,17);1H/t9-,10+;/m0./s1.
What are the key properties of (2S)-2-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]propanamide;hydrochloride?
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]propanamide;hydrochloride has a molecular weight of 285.78 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]propanamide;hydrochloride is sourced from PubChem (CID 119337389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).