1-[(3-aminobutanoylamino)methyl]cyclopentane-1-carboxamide

C11H21N3O2 — CID 119789655

IUPAC1-[(3-aminobutanoylamino)methyl]cyclopentane-1-carboxamide
SMILESCC(N)CC(=O)NCC1(C(N)=O)CCCC1
InChIInChI=1S/C11H21N3O2/c1-8(12)6-9(15)14-7-11(10(13)16)4-2-3-5-11/h8H,2-7,12H2,1H3,(H2,13,16)(H,14,15)
InChIKeyWBEPXWSPTXPTRB-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.11
Rot. Bonds5

About 1-[(3-aminobutanoylamino)methyl]cyclopentane-1-carboxamide

1-[(3-aminobutanoylamino)methyl]cyclopentane-1-carboxamide (PubChem CID 119789655) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[(3-aminobutanoylamino)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[(3-aminobutanoylamino)methyl]cyclopentane-1-carboxamide
PubChem CID119789655
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-[(3-aminobutanoylamino)methyl]cyclopentane-1-carboxamide
SMILESCC(N)CC(=O)NCC1(C(N)=O)CCCC1
InChIInChI=1S/C11H21N3O2/c1-8(12)6-9(15)14-7-11(10(13)16)4-2-3-5-11/h8H,2-7,12H2,1H3,(H2,13,16)(H,14,15)
InChIKeyWBEPXWSPTXPTRB-UHFFFAOYSA-N
XLogP-0.11
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide
CID 119834021
1-[(3-methylbutanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81367949
3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]butanamide
CID 119820393
3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]butanamide;hydrochloride
CID 119801902
3-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119820336
1-[(3-methylpentanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 114873836
3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide
CID 65118910
1-[(3,3-dimethylbutan-2-ylamino)methyl]cyclopentane-1-carboxamide
CID 115720544
3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide
CID 119896490
1-[(pentan-3-ylamino)methyl]cyclopentane-1-carboxamide
CID 115720546
1-[(5-aminohexanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 82853421
1-[[(4-methoxy-3-methylbutanoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115432964

Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminobutanoylamino)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-[(3-aminobutanoylamino)methyl]cyclopentane-1-carboxamide (CID 119789655) is 1-[(3-aminobutanoylamino)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[(3-aminobutanoylamino)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[(3-aminobutanoylamino)methyl]cyclopentane-1-carboxamide is CC(N)CC(=O)NCC1(C(N)=O)CCCC1.
What is the InChIKey of 1-[(3-aminobutanoylamino)methyl]cyclopentane-1-carboxamide?
The InChIKey is WBEPXWSPTXPTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(12)6-9(15)14-7-11(10(13)16)4-2-3-5-11/h8H,2-7,12H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 1-[(3-aminobutanoylamino)methyl]cyclopentane-1-carboxamide?
1-[(3-aminobutanoylamino)methyl]cyclopentane-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminobutanoylamino)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119789655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).