4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclopent-2-ene-1-carboxamide

C12H19N3O2 — CID 79400762

IUPAC4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCCC(=O)NC2CC2)C1
InChIInChI=1S/C12H19N3O2/c13-9-2-1-8(7-9)12(17)14-6-5-11(16)15-10-3-4-10/h1-2,8-10H,3-7,13H2,(H,14,17)(H,15,16)
InChIKeyHHDKJOXOBIGXSP-UHFFFAOYSA-N
MW237.30 g/mol
LogP-0.33
Rot. Bonds5

About 4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclopent-2-ene-1-carboxamide

4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclopent-2-ene-1-carboxamide (PubChem CID 79400762) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclopent-2-ene-1-carboxamide
PubChem CID79400762
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCCC(=O)NC2CC2)C1
InChIInChI=1S/C12H19N3O2/c13-9-2-1-8(7-9)12(17)14-6-5-11(16)15-10-3-4-10/h1-2,8-10H,3-7,13H2,(H,14,17)(H,15,16)
InChIKeyHHDKJOXOBIGXSP-UHFFFAOYSA-N
XLogP-0.33
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-aminoethyl)cyclopent-2-ene-1-carboxamide
CID 79207691
N-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]butanamide
CID 79211284
3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 79401214
4-amino-N-(3-methylsulfanylpropyl)cyclopent-2-ene-1-carboxamide
CID 79207622
4-amino-N-(2,2-difluoro-3-hydroxypropyl)cyclopent-2-ene-1-carboxamide
CID 106176733
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 79395809
3-[(3-aminocyclobutyl)amino]-N-cyclopropylpropanamide
CID 80562214
1-(4-aminocyclopent-2-en-1-yl)-3-cyclopropylpropan-1-one
CID 116584980
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
3-[(3-aminocyclopentyl)amino]-N-cyclopropylpropanamide
CID 79462547
4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]butanamide
CID 79401523
4-amino-N-(3-ethylsulfanylcyclopentyl)cyclopent-2-ene-1-carboxamide
CID 114123155

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclopent-2-ene-1-carboxamide (CID 79400762) is 4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)NCCC(=O)NC2CC2)C1.
What is the InChIKey of 4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is HHDKJOXOBIGXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-9-2-1-8(7-9)12(17)14-6-5-11(16)15-10-3-4-10/h1-2,8-10H,3-7,13H2,(H,14,17)(H,15,16).
What are the key properties of 4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 237.30 g/mol, XLogP of -0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79400762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).