1-[2-(aminomethyl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride

C12H24ClN3O2 — CID 120606534

IUPAC1-[2-(aminomethyl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCNC(=O)C1CCCN1C(=O)C(CN)C(C)C.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-8(2)9(7-13)12(17)15-6-4-5-10(15)11(16)14-3;/h8-10H,4-7,13H2,1-3H3,(H,14,16);1H
InChIKeyPFVRVTSSDRTAAK-UHFFFAOYSA-N
MW277.80 g/mol
LogP0.38
Rot. Bonds4

About 1-[2-(aminomethyl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride

1-[2-(aminomethyl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120606534) has the molecular formula C12H24ClN3O2 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID120606534
Molecular FormulaC12H24ClN3O2
Molecular Weight277.80 g/mol
Exact Mass277.16
IUPAC Name1-[2-(aminomethyl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCNC(=O)C1CCCN1C(=O)C(CN)C(C)C.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-8(2)9(7-13)12(17)15-6-4-5-10(15)11(16)14-3;/h8-10H,4-7,13H2,1-3H3,(H,14,16);1H
InChIKeyPFVRVTSSDRTAAK-UHFFFAOYSA-N
XLogP0.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 65227126
N-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide
CID 79202407
1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide
CID 79013406
2-methyl-3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 114897714
1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide
CID 103515226
1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119736640
1-(2,4-diamino-4-oxobutanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60954201
N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide
CID 107026107
1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide
CID 60949285
propan-2-yl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 116654854
1-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-methylpiperidine-2-carboxamide
CID 76925120
1-(2-amino-5-methoxypentanoyl)-N-methylpyrrolidine-2-carboxamide
CID 81089238

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-[2-(aminomethyl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride (CID 120606534) is 1-[2-(aminomethyl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-[2-(aminomethyl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-[2-(aminomethyl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride is CNC(=O)C1CCCN1C(=O)C(CN)C(C)C.Cl.
What is the InChIKey of 1-[2-(aminomethyl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is PFVRVTSSDRTAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2.ClH/c1-8(2)9(7-13)12(17)15-6-4-5-10(15)11(16)14-3;/h8-10H,4-7,13H2,1-3H3,(H,14,16);1H.
What are the key properties of 1-[2-(aminomethyl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
1-[2-(aminomethyl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120606534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).