2-amino-N-(2-amino-2-oxo-1-phenylethyl)-3-methoxypropanamide;hydrochloride

C12H18ClN3O3 — CID 120984398

IUPAC2-amino-N-(2-amino-2-oxo-1-phenylethyl)-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NC(C(N)=O)c1ccccc1.Cl
InChIInChI=1S/C12H17N3O3.ClH/c1-18-7-9(13)12(17)15-10(11(14)16)8-5-3-2-4-6-8;/h2-6,9-10H,7,13H2,1H3,(H2,14,16)(H,15,17);1H
InChIKeyXSGPEICLBOODRL-UHFFFAOYSA-N
MW287.75 g/mol
LogP-0.28
Rot. Bonds6

About 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-3-methoxypropanamide;hydrochloride

2-amino-N-(2-amino-2-oxo-1-phenylethyl)-3-methoxypropanamide;hydrochloride (PubChem CID 120984398) has the molecular formula C12H18ClN3O3 and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxo-1-phenylethyl)-3-methoxypropanamide;hydrochloride
PubChem CID120984398
Molecular FormulaC12H18ClN3O3
Molecular Weight287.75 g/mol
Exact Mass287.10
IUPAC Name2-amino-N-(2-amino-2-oxo-1-phenylethyl)-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NC(C(N)=O)c1ccccc1.Cl
InChIInChI=1S/C12H17N3O3.ClH/c1-18-7-9(13)12(17)15-10(11(14)16)8-5-3-2-4-6-8;/h2-6,9-10H,7,13H2,1H3,(H2,14,16)(H,15,17);1H
InChIKeyXSGPEICLBOODRL-UHFFFAOYSA-N
XLogP-0.28
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3-methoxypropanamide
CID 120987982
(2S)-2-amino-N-(2-amino-2-oxo-1-phenylethyl)propanamide
CID 119276132
(2S)-2-[(2-amino-5-methoxypentanoyl)amino]-2-phenylacetic acid
CID 103871010
(2S)-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-phenylacetamide
CID 33406332
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-phenylacetate;hydrochloride
CID 142643304
2-amino-3-methoxy-N-(2-phenylpropyl)propanamide
CID 81089279
2-amino-3-methoxy-N-(1-phenyl-2-phenylmethoxyethyl)propanamide;hydrochloride
CID 120990600
methyl 2-(2-aminopentanoylamino)-2-phenylacetate
CID 62111189
2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide
CID 81089075
(2S)-2-phenyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetamide
CID 66657978
2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 51289830
methyl (2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-phenylacetate
CID 140999668

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-3-methoxypropanamide;hydrochloride (CID 120984398) is 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)NC(C(N)=O)c1ccccc1.Cl.
What is the InChIKey of 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-3-methoxypropanamide;hydrochloride?
The InChIKey is XSGPEICLBOODRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3.ClH/c1-18-7-9(13)12(17)15-10(11(14)16)8-5-3-2-4-6-8;/h2-6,9-10H,7,13H2,1H3,(H2,14,16)(H,15,17);1H.
What are the key properties of 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-3-methoxypropanamide;hydrochloride?
2-amino-N-(2-amino-2-oxo-1-phenylethyl)-3-methoxypropanamide;hydrochloride has a molecular weight of 287.75 g/mol, XLogP of -0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120984398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).