1-[[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid

C14H27N3O3 — CID 106038890

IUPAC1-[[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCC(C)N(C)CCCNC(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C14H27N3O3/c1-11(2)17(3)9-5-8-15-13(20)16-10-14(12(18)19)6-4-7-14/h11H,4-10H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyFUYKYRCZVCOTTP-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.27
Rot. Bonds8

About 1-[[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid

1-[[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 106038890) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
PubChem CID106038890
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name1-[[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCC(C)N(C)CCCNC(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C14H27N3O3/c1-11(2)17(3)9-5-8-15-13(20)16-10-14(12(18)19)6-4-7-14/h11H,4-10H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyFUYKYRCZVCOTTP-UHFFFAOYSA-N
XLogP1.27
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.27
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-[(4-propan-2-yloxybutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 106004382
1-[[3-(diethylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433956
1-[(4-methylpentylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309359
1-[[3-(methylamino)propylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436781
1-[(5-methylhexylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 113312630
1-[(pentylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444674
1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide
CID 114140196
1-[(3-ethoxypropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433979
1-[[2-(diethylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433944
1-[[2-(methanesulfonamido)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311330
1-[(4,4,4-trifluorobutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 113327941
1-[(3-methylsulfinylbutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 113490762

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid (CID 106038890) is 1-[[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid is CC(C)N(C)CCCNC(=O)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is FUYKYRCZVCOTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-11(2)17(3)9-5-8-15-13(20)16-10-14(12(18)19)6-4-7-14/h11H,4-10H2,1-3H3,(H,18,19)(H2,15,16,20).
What are the key properties of 1-[[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
1-[[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 285.39 g/mol, XLogP of 1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 106038890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).