(2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride

C12H18ClN3O2 — CID 119296177

IUPAC(2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
SMILESCCC(=O)Nc1ccc(NC(=O)[C@@H](C)N)cc1.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-3-11(16)14-9-4-6-10(7-5-9)15-12(17)8(2)13;/h4-8H,3,13H2,1-2H3,(H,14,16)(H,15,17);1H/t8-;/m1./s1
InChIKeyWAMDAWWOMPWXCH-DDWIOCJRSA-N
MW271.75 g/mol
LogP1.74
Rot. Bonds4

About (2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride

(2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride (PubChem CID 119296177) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
PubChem CID119296177
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name(2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
SMILESCCC(=O)Nc1ccc(NC(=O)[C@@H](C)N)cc1.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-3-11(16)14-9-4-6-10(7-5-9)15-12(17)8(2)13;/h4-8H,3,13H2,1-2H3,(H,14,16)(H,15,17);1H/t8-;/m1./s1
InChIKeyWAMDAWWOMPWXCH-DDWIOCJRSA-N
XLogP1.74
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide
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(2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide
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2-amino-N-(4-fluorophenyl)propanamide;hydrochloride
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(2R)-2-amino-N-(4-hydroxyphenyl)propanamide
CID 78972563
2-amino-N-(4-propylphenyl)propanamide
CID 43378686
(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide
CID 103691721
(2R)-2-amino-N-(4-chlorophenyl)propanamide
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N-[4-(propan-2-ylamino)phenyl]propanamide
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(2S)-2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride (CID 119296177) is (2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride is CCC(=O)Nc1ccc(NC(=O)[C@@H](C)N)cc1.Cl.
What is the InChIKey of (2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride?
The InChIKey is WAMDAWWOMPWXCH-DDWIOCJRSA-N. The full InChI is InChI=1S/C12H17N3O2.ClH/c1-3-11(16)14-9-4-6-10(7-5-9)15-12(17)8(2)13;/h4-8H,3,13H2,1-2H3,(H,14,16)(H,15,17);1H/t8-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride?
(2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride has a molecular weight of 271.75 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119296177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).