3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride

C15H24ClN3O2 — CID 119287336

IUPAC3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)[C@@H](C)N)c1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-4-10(2)18-15(20)13-7-5-6-12(8-13)9-17-14(19)11(3)16;/h5-8,10-11H,4,9,16H2,1-3H3,(H,17,19)(H,18,20);1H/t10?,11-;/m1./s1
InChIKeyUQGFADFVNLWUPH-PSDUUTOMSA-N
MW313.83 g/mol
LogP1.60
Rot. Bonds6

About 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride

3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride (PubChem CID 119287336) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
PubChem CID119287336
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)[C@@H](C)N)c1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-4-10(2)18-15(20)13-7-5-6-12(8-13)9-17-14(19)11(3)16;/h5-8,10-11H,4,9,16H2,1-3H3,(H,17,19)(H,18,20);1H/t10?,11-;/m1./s1
InChIKeyUQGFADFVNLWUPH-PSDUUTOMSA-N
XLogP1.60
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
CID 94180645
3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119719774
3-[(2-aminopentanoylamino)methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119287338
3-[(4-aminopentanoylamino)methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 120560222
3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119719732
3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide
CID 119287321
3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119289031
3-(aminomethyl)-N-butan-2-ylbenzamide
CID 16778307
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride
CID 119287449
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-cyclopropylbenzamide;hydrochloride
CID 119296114
N-butan-2-yl-3-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]benzamide
CID 55794894
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
CID 119867722

Frequently Asked Questions

What is the IUPAC name of 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride?
The IUPAC name of 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride (CID 119287336) is 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride?
The canonical SMILES for 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride is CCC(C)NC(=O)c1cccc(CNC(=O)[C@@H](C)N)c1.Cl.
What is the InChIKey of 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride?
The InChIKey is UQGFADFVNLWUPH-PSDUUTOMSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-4-10(2)18-15(20)13-7-5-6-12(8-13)9-17-14(19)11(3)16;/h5-8,10-11H,4,9,16H2,1-3H3,(H,17,19)(H,18,20);1H/t10?,11-;/m1./s1.
What are the key properties of 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride?
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 119287336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).