N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide

C13H23N3O2 — CID 119614975

IUPACN-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESNCC(NC(=O)CCCNC(=O)C1CC1)C1CC1
InChIInChI=1S/C13H23N3O2/c14-8-11(9-3-4-9)16-12(17)2-1-7-15-13(18)10-5-6-10/h9-11H,1-8,14H2,(H,15,18)(H,16,17)
InChIKeyMKJWIQIRQYSCSS-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.15
Rot. Bonds8

About N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide

N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 119614975) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide
PubChem CID119614975
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESNCC(NC(=O)CCCNC(=O)C1CC1)C1CC1
InChIInChI=1S/C13H23N3O2/c14-8-11(9-3-4-9)16-12(17)2-1-7-15-13(18)10-5-6-10/h9-11H,1-8,14H2,(H,15,18)(H,16,17)
InChIKeyMKJWIQIRQYSCSS-UHFFFAOYSA-N
XLogP0.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.15
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

N-[2-(cyclopropanecarbonylamino)cyclohexyl]cyclopropanecarboxamide
CID 2920473
2-Cyclopropyl-2-[(cyclopropylmethyl)amino]acetamide hydrochloride
CID 126796309
2-acetamido-N-cyclopropyl-3-methylbutanamide
CID 4852101
2-methyl-N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 45881731
N-[2-cyclopropyl-2-[(2-methylcyclopropanecarbonyl)amino]ethyl]-2-methylcyclopropane-1-carboxamide
CID 71934691
N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 71942232
N-[2,3-dimethyl-2-[(2-methylcyclopropanecarbonyl)amino]butyl]-2-methylcyclopropane-1-carboxamide
CID 72135427
(2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-N-propan-2-ylbutanamide
CID 121522578
2-cyclopropyl-N-[2-(2-cyclopropylpropanoylamino)-3,3,3-trifluoropropyl]propanamide
CID 132308729
N-(Piperidin-3-YL)cyclopropanecarboxamide
CID 20116714
N-[2-(1-cyclopropylpropan-2-ylamino)-2-oxoethyl]-1-fluorocyclopropane-1-carboxamide
CID 169965412
2-Cyclopropyl-2-[(cyclopropylmethyl)amino]acetamide
CID 61310165

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide (CID 119614975) is N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide is NCC(NC(=O)CCCNC(=O)C1CC1)C1CC1.
What is the InChIKey of N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is MKJWIQIRQYSCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c14-8-11(9-3-4-9)16-12(17)2-1-7-15-13(18)10-5-6-10/h9-11H,1-8,14H2,(H,15,18)(H,16,17).
What are the key properties of N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide?
N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 119614975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).