3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride

C14H20ClN3O2 — CID 119283992

IUPAC3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)[C@H](C)N.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-8-3-4-10(14(19)16-11-5-6-11)7-12(8)17-13(18)9(2)15;/h3-4,7,9,11H,5-6,15H2,1-2H3,(H,16,19)(H,17,18);1H/t9-;/m0./s1
InChIKeyOLHVWNHFSQVZRK-FVGYRXGTSA-N
MW297.79 g/mol
LogP1.59
Rot. Bonds4

About 3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride

3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride (PubChem CID 119283992) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
PubChem CID119283992
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)[C@H](C)N.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-8-3-4-10(14(19)16-11-5-6-11)7-12(8)17-13(18)9(2)15;/h3-4,7,9,11H,5-6,15H2,1-2H3,(H,16,19)(H,17,18);1H/t9-;/m0./s1
InChIKeyOLHVWNHFSQVZRK-FVGYRXGTSA-N
XLogP1.59
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide
CID 47308191
3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 120786526
3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
CID 119284386
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide
CID 78969031
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
N-cyclopropyl-3-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylbenzamide
CID 55783367
2-(2-aminopropanoylamino)-N-cyclopropylbenzamide
CID 24693610
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrrolidine-1-carboxamide
CID 47039794
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3,4,5-trifluorobenzamide
CID 66631543
2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974842
3-[3-(2-aminophenyl)propanoylamino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 120608755
2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride
CID 119279910

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride?
The IUPAC name of 3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride (CID 119283992) is 3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride.
What is the SMILES notation for 3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride?
The canonical SMILES for 3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)[C@H](C)N.Cl.
What is the InChIKey of 3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride?
The InChIKey is OLHVWNHFSQVZRK-FVGYRXGTSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c1-8-3-4-10(14(19)16-11-5-6-11)7-12(8)17-13(18)9(2)15;/h3-4,7,9,11H,5-6,15H2,1-2H3,(H,16,19)(H,17,18);1H/t9-;/m0./s1.
What are the key properties of 3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride?
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 119283992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).