(2S)-2-N-(3-amino-4-methylpentyl)-2-N-methylpyrrolidine-1,2-dicarboxamide;hydrochloride

C13H27ClN4O2 — CID 119659230

IUPAC(2S)-2-N-(3-amino-4-methylpentyl)-2-N-methylpyrrolidine-1,2-dicarboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)[C@@H]1CCCN1C(N)=O.Cl
InChIInChI=1S/C13H26N4O2.ClH/c1-9(2)10(14)6-8-16(3)12(18)11-5-4-7-17(11)13(15)19;/h9-11H,4-8,14H2,1-3H3,(H2,15,19);1H/t10?,11-;/m0./s1
InChIKeyCXBRWEMUYIEIMQ-GQNCZFCYSA-N
MW306.84 g/mol
LogP0.78
Rot. Bonds5

About (2S)-2-N-(3-amino-4-methylpentyl)-2-N-methylpyrrolidine-1,2-dicarboxamide;hydrochloride

(2S)-2-N-(3-amino-4-methylpentyl)-2-N-methylpyrrolidine-1,2-dicarboxamide;hydrochloride (PubChem CID 119659230) has the molecular formula C13H27ClN4O2 and a molecular weight of 306.84 g/mol. Its IUPAC name is (2S)-2-N-(3-amino-4-methylpentyl)-2-N-methylpyrrolidine-1,2-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-N-(3-amino-4-methylpentyl)-2-N-methylpyrrolidine-1,2-dicarboxamide;hydrochloride
PubChem CID119659230
Molecular FormulaC13H27ClN4O2
Molecular Weight306.84 g/mol
Exact Mass306.18
IUPAC Name(2S)-2-N-(3-amino-4-methylpentyl)-2-N-methylpyrrolidine-1,2-dicarboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)[C@@H]1CCCN1C(N)=O.Cl
InChIInChI=1S/C13H26N4O2.ClH/c1-9(2)10(14)6-8-16(3)12(18)11-5-4-7-17(11)13(15)19;/h9-11H,4-8,14H2,1-3H3,(H2,15,19);1H/t10?,11-;/m0./s1
InChIKeyCXBRWEMUYIEIMQ-GQNCZFCYSA-N
XLogP0.78
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-1,2-dicarboxamide
CID 136580497
N-(3-amino-4-methylpentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119658274
N-(3-amino-4-methylpentyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119661450
N-(3-amino-4-methylpentyl)-1-butanoyl-N-methylpiperidine-3-carboxamide
CID 119660200
cis-(1R,2S)-N-[(3R)-3-amino-4-methylpentyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 99849762
N-(3-amino-4-methylpentyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methylpyrrolidine-2-carboxamide
CID 119658559
1-[(2R)-2-aminopropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydrochloride
CID 119275596
N-(3-amino-4-methylpentyl)-1-benzoyl-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119659992
N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 119658992
2-carbamothioyl-N-ethyl-N-methylpyrrolidine-1-carboxamide
CID 79159265
N-(3-amino-4-methylpentyl)-N-methylpyrrolidine-1-sulfonamide
CID 115317691
N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 119661116

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-(3-amino-4-methylpentyl)-2-N-methylpyrrolidine-1,2-dicarboxamide;hydrochloride?
The IUPAC name of (2S)-2-N-(3-amino-4-methylpentyl)-2-N-methylpyrrolidine-1,2-dicarboxamide;hydrochloride (CID 119659230) is (2S)-2-N-(3-amino-4-methylpentyl)-2-N-methylpyrrolidine-1,2-dicarboxamide;hydrochloride.
What is the SMILES notation for (2S)-2-N-(3-amino-4-methylpentyl)-2-N-methylpyrrolidine-1,2-dicarboxamide;hydrochloride?
The canonical SMILES for (2S)-2-N-(3-amino-4-methylpentyl)-2-N-methylpyrrolidine-1,2-dicarboxamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)[C@@H]1CCCN1C(N)=O.Cl.
What is the InChIKey of (2S)-2-N-(3-amino-4-methylpentyl)-2-N-methylpyrrolidine-1,2-dicarboxamide;hydrochloride?
The InChIKey is CXBRWEMUYIEIMQ-GQNCZFCYSA-N. The full InChI is InChI=1S/C13H26N4O2.ClH/c1-9(2)10(14)6-8-16(3)12(18)11-5-4-7-17(11)13(15)19;/h9-11H,4-8,14H2,1-3H3,(H2,15,19);1H/t10?,11-;/m0./s1.
What are the key properties of (2S)-2-N-(3-amino-4-methylpentyl)-2-N-methylpyrrolidine-1,2-dicarboxamide;hydrochloride?
(2S)-2-N-(3-amino-4-methylpentyl)-2-N-methylpyrrolidine-1,2-dicarboxamide;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-(3-amino-4-methylpentyl)-2-N-methylpyrrolidine-1,2-dicarboxamide;hydrochloride is sourced from PubChem (CID 119659230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).