N-[2-(2-aminopentanoylamino)ethyl]cyclopropanecarboxamide

C11H21N3O2 — CID 115733623

IUPACN-[2-(2-aminopentanoylamino)ethyl]cyclopropanecarboxamide
SMILESCCCC(N)C(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C11H21N3O2/c1-2-3-9(12)11(16)14-7-6-13-10(15)8-4-5-8/h8-9H,2-7,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyRDBUVWZOHIKXMI-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.24
Rot. Bonds7

About N-[2-(2-aminopentanoylamino)ethyl]cyclopropanecarboxamide

N-[2-(2-aminopentanoylamino)ethyl]cyclopropanecarboxamide (PubChem CID 115733623) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[2-(2-aminopentanoylamino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-aminopentanoylamino)ethyl]cyclopropanecarboxamide
PubChem CID115733623
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-[2-(2-aminopentanoylamino)ethyl]cyclopropanecarboxamide
SMILESCCCC(N)C(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C11H21N3O2/c1-2-3-9(12)11(16)14-7-6-13-10(15)8-4-5-8/h8-9H,2-7,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyRDBUVWZOHIKXMI-UHFFFAOYSA-N
XLogP-0.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide
CID 113288241
2-amino-N-propylpentanamide
CID 43649977
N-[2-(pentan-2-ylamino)ethyl]cyclopropanecarboxamide
CID 75525140
(2S)-2-amino-N-(2-cyclobutylethyl)pentanamide
CID 107570634
N-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]cyclopropanecarboxamide;hydrochloride
CID 119270340
(2R)-2-amino-N-butylpentanamide
CID 82668431
(2S)-2-amino-N-(2-hydroxyethyl)pentanamide
CID 89064333
N-[2-(1-cyclopropylbutylamino)ethyl]cyclopropanecarboxamide
CID 115769747
(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide
CID 107569640
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]pentanamide
CID 79401443
4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144333
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide
CID 93389393

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminopentanoylamino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2-aminopentanoylamino)ethyl]cyclopropanecarboxamide (CID 115733623) is N-[2-(2-aminopentanoylamino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2-aminopentanoylamino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2-aminopentanoylamino)ethyl]cyclopropanecarboxamide is CCCC(N)C(=O)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-(2-aminopentanoylamino)ethyl]cyclopropanecarboxamide?
The InChIKey is RDBUVWZOHIKXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-2-3-9(12)11(16)14-7-6-13-10(15)8-4-5-8/h8-9H,2-7,12H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-[2-(2-aminopentanoylamino)ethyl]cyclopropanecarboxamide?
N-[2-(2-aminopentanoylamino)ethyl]cyclopropanecarboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminopentanoylamino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115733623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).