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

C12H23N3O2 — CID 119522998

IUPACN-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESCC(C)(CN)NC(=O)CCCNC(=O)C1CC1
InChIInChI=1S/C12H23N3O2/c1-12(2,8-13)15-10(16)4-3-7-14-11(17)9-5-6-9/h9H,3-8,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyYBALWTCLLZTFCV-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.15
Rot. Bonds7

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

N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 119522998) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]cyclopropanecarboxamide
PubChem CID119522998
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESCC(C)(CN)NC(=O)CCCNC(=O)C1CC1
InChIInChI=1S/C12H23N3O2/c1-12(2,8-13)15-10(16)4-3-7-14-11(17)9-5-6-9/h9H,3-8,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyYBALWTCLLZTFCV-UHFFFAOYSA-N
XLogP0.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
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-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride
CID 119570151
N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride
CID 119523411
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 3067803
4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide
CID 79526623
N-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 119641529
N-(1-amino-2-methylpropan-2-yl)-4-cyclohexylbutanamide;hydrochloride
CID 119523315
N-(4,4-dimethylpentyl)cyclopropanecarboxamide
CID 110421021
2-[4-(cyclopropanecarbonylamino)butanoylamino]acetic acid
CID 115596329
N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 119614975
N-[2-(7-aminoheptanoylamino)ethyl]cyclopropanecarboxamide
CID 115738007
N-(1-amino-2-methylpropan-2-yl)-3-cyclopentylpropanamide;hydrochloride
CID 119260499

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]cyclopropanecarboxamide (CID 119522998) is N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]cyclopropanecarboxamide is CC(C)(CN)NC(=O)CCCNC(=O)C1CC1.
What is the InChIKey of N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is YBALWTCLLZTFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(2,8-13)15-10(16)4-3-7-14-11(17)9-5-6-9/h9H,3-8,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]cyclopropanecarboxamide?
N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-amino-2-methylpropan-2-yl)amino]-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 119522998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).