N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride

C13H20ClN3O2 — CID 119281775

IUPACN-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
SMILESCC(C)C(=O)Nc1cccc(NC(=O)[C@@H](C)N)c1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-8(2)12(17)15-10-5-4-6-11(7-10)16-13(18)9(3)14;/h4-9H,14H2,1-3H3,(H,15,17)(H,16,18);1H/t9-;/m1./s1
InChIKeyLVDOXAXAOWUINN-SBSPUUFOSA-N
MW285.78 g/mol
LogP1.99
Rot. Bonds4

About N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride

N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride (PubChem CID 119281775) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
PubChem CID119281775
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC NameN-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
SMILESCC(C)C(=O)Nc1cccc(NC(=O)[C@@H](C)N)c1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-8(2)12(17)15-10-5-4-6-11(7-10)16-13(18)9(3)14;/h4-9H,14H2,1-3H3,(H,15,17)(H,16,18);1H/t9-;/m1./s1
InChIKeyLVDOXAXAOWUINN-SBSPUUFOSA-N
XLogP1.99
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 24711020
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(2S)-2-amino-N-(3-iodophenyl)propanamide
CID 28882940
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
2-amino-N-[3-(difluoromethyl)phenyl]propanamide;hydrochloride
CID 119314355
3-(2-aminopropanoylamino)benzamide
CID 61258270
N-[3-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43699994
2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid
CID 65350383
2-amino-N-(3-methylsulfinylphenyl)propanamide;hydrochloride
CID 119300630
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942
(2R)-2-amino-N-phenylpropanamide
CID 10607114
methyl 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetate;hydrochloride
CID 119322800

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride?
The IUPAC name of N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride (CID 119281775) is N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride is CC(C)C(=O)Nc1cccc(NC(=O)[C@@H](C)N)c1.Cl.
What is the InChIKey of N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride?
The InChIKey is LVDOXAXAOWUINN-SBSPUUFOSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-8(2)12(17)15-10-5-4-6-11(7-10)16-13(18)9(3)14;/h4-9H,14H2,1-3H3,(H,15,17)(H,16,18);1H/t9-;/m1./s1.
What are the key properties of N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride?
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride has a molecular weight of 285.78 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 119281775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).