1-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide

C11H21N3O — CID 95228987

IUPAC1-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
SMILESCN1CC[C@H](CNC(=O)C2(N)CCC2)C1
InChIInChI=1S/C11H21N3O/c1-14-6-3-9(8-14)7-13-10(15)11(12)4-2-5-11/h9H,2-8,12H2,1H3,(H,13,15)/t9-/m1/s1
InChIKeyJONCFSJDCKYXSR-SECBINFHSA-N
MW211.31 g/mol
LogP-0.06
Rot. Bonds3

About 1-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide

1-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide (PubChem CID 95228987) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
PubChem CID95228987
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
SMILESCN1CC[C@H](CNC(=O)C2(N)CCC2)C1
InChIInChI=1S/C11H21N3O/c1-14-6-3-9(8-14)7-13-10(15)11(12)4-2-5-11/h9H,2-8,12H2,1H3,(H,13,15)/t9-/m1/s1
InChIKeyJONCFSJDCKYXSR-SECBINFHSA-N
XLogP-0.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-aminobutyryl-L-proline isobutylamide
CID 11499834
(2S)-aminobutyryl-L-proline-(2S)-methylbutylamide
CID 11623159
L-valyl-L-prolinamide
CID 11615440
Pyrrolidine, 1-[(2S,3R)-2-amino-3-methyl-1-oxopentyl]-
CID 9794073
(2S,3S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)pentan-1-one
CID 9796352
(S)-1-((S)-2-amino-3-methylbutanoyl)-N-butylpyrrolidine-2-carboxamide
CID 9970317
alpha-methylalanyl-L-proline butylamide
CID 11658913
2-Amino-3-methyl-1-pyrrolidin-1-yl-pentan-1-one
CID 10130255
(2S,3S)-2-amino-1-(3-fluoropyrrolidin-1-yl)-3-methylpentan-1-one
CID 10584272
2-(2,2-Dimethyl-5-oxopyrrolidin-1-yl)-N-(2-hydroxy-2-iminoethyl)butanimidic acid
CID 3050862
2-(2,2-Dimethyl-5-oxopyrrolidin-1-yl)-N-(2-hydroxy-2-iminoethyl)propanimidic acid
CID 3050863
1-Pyrrolidineacetamide, 2,2-dimethyl-alpha-5-oxo-N-(2-oxo-2-(propylamino)ethyl)-
CID 3050864

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide (CID 95228987) is 1-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide is CN1CC[C@H](CNC(=O)C2(N)CCC2)C1.
What is the InChIKey of 1-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide?
The InChIKey is JONCFSJDCKYXSR-SECBINFHSA-N. The full InChI is InChI=1S/C11H21N3O/c1-14-6-3-9(8-14)7-13-10(15)11(12)4-2-5-11/h9H,2-8,12H2,1H3,(H,13,15)/t9-/m1/s1.
What are the key properties of 1-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide?
1-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide has a molecular weight of 211.31 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 95228987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).