1-amino-N-[4-(cyclopropylamino)-4-oxobutyl]cyclobutane-1-carboxamide

C12H21N3O2 — CID 81168736

IUPAC1-amino-N-[4-(cyclopropylamino)-4-oxobutyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCCCC(=O)NC2CC2)CCC1
InChIInChI=1S/C12H21N3O2/c13-12(6-2-7-12)11(17)14-8-1-3-10(16)15-9-4-5-9/h9H,1-8,13H2,(H,14,17)(H,15,16)
InChIKeyZIOTXORIFCWMEP-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.04
Rot. Bonds6

About 1-amino-N-[4-(cyclopropylamino)-4-oxobutyl]cyclobutane-1-carboxamide

1-amino-N-[4-(cyclopropylamino)-4-oxobutyl]cyclobutane-1-carboxamide (PubChem CID 81168736) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-amino-N-[4-(cyclopropylamino)-4-oxobutyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(cyclopropylamino)-4-oxobutyl]cyclobutane-1-carboxamide
PubChem CID81168736
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-amino-N-[4-(cyclopropylamino)-4-oxobutyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCCCC(=O)NC2CC2)CCC1
InChIInChI=1S/C12H21N3O2/c13-12(6-2-7-12)11(17)14-8-1-3-10(16)15-9-4-5-9/h9H,1-8,13H2,(H,14,17)(H,15,16)
InChIKeyZIOTXORIFCWMEP-UHFFFAOYSA-N
XLogP0.04
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.04
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

1-amino-N-[3-(cyclohexylamino)-3-oxopropyl]cyclopentane-1-carboxamide;hydrochloride
CID 119299492
1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 79395533
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
N-[4-(cyclopropylamino)-4-oxobutyl]-2-ethylpyrrolidine-2-carboxamide
CID 83073445
1-amino-N-(3-hydroxypropyl)cyclobutane-1-carboxamide
CID 81179934
N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide
CID 79401446
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
N-cyclopropyl-4-[(1-hydroxycyclohexyl)methylamino]butanamide
CID 79394707
N-cyclopropyl-4-(methylcarbamoylamino)butanamide
CID 115582642
4-(cyclobutylmethylamino)-N-cyclopropylbutanamide
CID 79393715
4-[(3-amino-3-oxopropyl)amino]-N-cyclopropylbutanamide
CID 79394455
4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-cyclopropylbutanamide
CID 79401001

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(cyclopropylamino)-4-oxobutyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(cyclopropylamino)-4-oxobutyl]cyclobutane-1-carboxamide (CID 81168736) is 1-amino-N-[4-(cyclopropylamino)-4-oxobutyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(cyclopropylamino)-4-oxobutyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(cyclopropylamino)-4-oxobutyl]cyclobutane-1-carboxamide is NC1(C(=O)NCCCC(=O)NC2CC2)CCC1.
What is the InChIKey of 1-amino-N-[4-(cyclopropylamino)-4-oxobutyl]cyclobutane-1-carboxamide?
The InChIKey is ZIOTXORIFCWMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c13-12(6-2-7-12)11(17)14-8-1-3-10(16)15-9-4-5-9/h9H,1-8,13H2,(H,14,17)(H,15,16).
What are the key properties of 1-amino-N-[4-(cyclopropylamino)-4-oxobutyl]cyclobutane-1-carboxamide?
1-amino-N-[4-(cyclopropylamino)-4-oxobutyl]cyclobutane-1-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(cyclopropylamino)-4-oxobutyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81168736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).