2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentanamide;dihydrochloride

C13H27Cl2N3O — CID 119854796

IUPAC2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentanamide;dihydrochloride
SMILESCCCC(N)C(=O)NCC1CCN(C2CC2)C1.Cl.Cl
InChIInChI=1S/C13H25N3O.2ClH/c1-2-3-12(14)13(17)15-8-10-6-7-16(9-10)11-4-5-11;;/h10-12H,2-9,14H2,1H3,(H,15,17);2*1H
InChIKeySGQWKOMEJHQLOQ-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.56
Rot. Bonds6

About 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentanamide;dihydrochloride

2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentanamide;dihydrochloride (PubChem CID 119854796) has the molecular formula C13H27Cl2N3O and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentanamide;dihydrochloride
PubChem CID119854796
Molecular FormulaC13H27Cl2N3O
Molecular Weight312.29 g/mol
Exact Mass311.15
IUPAC Name2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentanamide;dihydrochloride
SMILESCCCC(N)C(=O)NCC1CCN(C2CC2)C1.Cl.Cl
InChIInChI=1S/C13H25N3O.2ClH/c1-2-3-12(14)13(17)15-8-10-6-7-16(9-10)11-4-5-11;;/h10-12H,2-9,14H2,1H3,(H,15,17);2*1H
InChIKeySGQWKOMEJHQLOQ-UHFFFAOYSA-N
XLogP1.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methylbutanamide
CID 79013040
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide
CID 93389393
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide
CID 79797487
(2S)-2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]hexanamide
CID 113304850
(2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 61180690
(3S)-3-amino-4-[(1-cyclopentylpiperidin-4-yl)methylamino]-4-oxobutanoic acid
CID 131947489
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide
CID 60975912
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-pentan-2-ylpropanamide
CID 60975768
(2S)-2-amino-N-[(1-methylpiperidin-4-yl)methyl]butanamide;dihydrochloride
CID 119866906
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid
CID 62231885
2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
CID 60809819
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79797572

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentanamide;dihydrochloride (CID 119854796) is 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentanamide;dihydrochloride is CCCC(N)C(=O)NCC1CCN(C2CC2)C1.Cl.Cl.
What is the InChIKey of 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentanamide;dihydrochloride?
The InChIKey is SGQWKOMEJHQLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.2ClH/c1-2-3-12(14)13(17)15-8-10-6-7-16(9-10)11-4-5-11;;/h10-12H,2-9,14H2,1H3,(H,15,17);2*1H.
What are the key properties of 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentanamide;dihydrochloride?
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentanamide;dihydrochloride has a molecular weight of 312.29 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentanamide;dihydrochloride is sourced from PubChem (CID 119854796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).