2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]pentanamide

C11H21N3O2 — CID 79401443

IUPAC2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]pentanamide
SMILESCCCC(N)C(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C11H21N3O2/c1-2-3-9(12)11(16)13-7-6-10(15)14-8-4-5-8/h8-9H,2-7,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyKCDYFHXPZLYGEQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.10
Rot. Bonds7

About 2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]pentanamide

2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]pentanamide (PubChem CID 79401443) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]pentanamide
PubChem CID79401443
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]pentanamide
SMILESCCCC(N)C(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C11H21N3O2/c1-2-3-9(12)11(16)13-7-6-10(15)14-8-4-5-8/h8-9H,2-7,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyKCDYFHXPZLYGEQ-UHFFFAOYSA-N
XLogP-0.10
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 ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid
CID 79400919
3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 79400915
(2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide
CID 79401066
(2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide
CID 79401766
2-amino-N-(4-aminocyclohexyl)pentanamide
CID 62319442
2-amino-N-(4-propan-2-ylcyclohexyl)pentanamide
CID 119339852
N-cyclopropyl-3-[(2,2-difluoroacetyl)amino]propanamide
CID 103515809
2-amino-N-propylpentanamide
CID 43649977
N-[2-(2-aminopentanoylamino)ethyl]cyclopropanecarboxamide
CID 115733623
N-[3-(cyclopropylamino)-3-oxopropyl]-2-(methylamino)propanamide
CID 79400764
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide
CID 79025256
(2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119299474

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]pentanamide?
The IUPAC name of 2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]pentanamide (CID 79401443) is 2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]pentanamide.
What is the SMILES notation for 2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]pentanamide?
The canonical SMILES for 2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]pentanamide is CCCC(N)C(=O)NCCC(=O)NC1CC1.
What is the InChIKey of 2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]pentanamide?
The InChIKey is KCDYFHXPZLYGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-2-3-9(12)11(16)13-7-6-10(15)14-8-4-5-8/h8-9H,2-7,12H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]pentanamide?
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]pentanamide has a molecular weight of 227.31 g/mol, XLogP of -0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]pentanamide is sourced from PubChem (CID 79401443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).