1-(2-aminohexanoyl)-N-cyclopropylpyrrolidine-2-carboxamide

C14H25N3O2 — CID 54870726

IUPAC1-(2-aminohexanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESCCCCC(N)C(=O)N1CCCC1C(=O)NC1CC1
InChIInChI=1S/C14H25N3O2/c1-2-3-5-11(15)14(19)17-9-4-6-12(17)13(18)16-10-7-8-10/h10-12H,2-9,15H2,1H3,(H,16,18)
InChIKeyKRVOXOAVBXQCRB-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.77
Rot. Bonds6

About 1-(2-aminohexanoyl)-N-cyclopropylpyrrolidine-2-carboxamide

1-(2-aminohexanoyl)-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 54870726) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2-aminohexanoyl)-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-aminohexanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID54870726
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-(2-aminohexanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESCCCCC(N)C(=O)N1CCCC1C(=O)NC1CC1
InChIInChI=1S/C14H25N3O2/c1-2-3-5-11(15)14(19)17-9-4-6-12(17)13(18)16-10-7-8-10/h10-12H,2-9,15H2,1H3,(H,16,18)
InChIKeyKRVOXOAVBXQCRB-UHFFFAOYSA-N
XLogP0.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-5-methoxypentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 81083197
1-[(2S)-2-aminobutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 119291895
(2S)-1-[(2S)-1-[(2R)-1-[(2S)-1-[(2S)-1-[(2S)-2-aminohexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 155118953
tert-butyl N-[(2S)-1-[(2S)-2-aminohexanoyl]pyrrolidine-2-carbonyl]carbamate
CID 172739381
1-(6-amino-2-methylheptanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 65290967
1-[(2R)-2-aminopropanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 119291892
1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 61163718
1-(2-aminobutanoyl)-N-butylpyrrolidine-2-carboxamide
CID 22451228
(2S)-1-[(2S)-2-aminopropanoyl]-N-cyclopentylpyrrolidine-2-carboxamide
CID 54355584
(2S)-2-amino-1-(2,3-dimethylpiperidin-1-yl)hexan-1-one
CID 103831675
2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 107217806
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminohexanoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-aminohexanoyl)-N-cyclopropylpyrrolidine-2-carboxamide (CID 54870726) is 1-(2-aminohexanoyl)-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-aminohexanoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-aminohexanoyl)-N-cyclopropylpyrrolidine-2-carboxamide is CCCCC(N)C(=O)N1CCCC1C(=O)NC1CC1.
What is the InChIKey of 1-(2-aminohexanoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is KRVOXOAVBXQCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-3-5-11(15)14(19)17-9-4-6-12(17)13(18)16-10-7-8-10/h10-12H,2-9,15H2,1H3,(H,16,18).
What are the key properties of 1-(2-aminohexanoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
1-(2-aminohexanoyl)-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminohexanoyl)-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 54870726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).