chloromethyl 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate

C14H22ClNO4 — CID 165439687

IUPACchloromethyl 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
SMILESCC(C)(C)OC(=O)N(C1CC1)C1(C(=O)OCCl)CCC1
InChIInChI=1S/C14H22ClNO4/c1-13(2,3)20-12(18)16(10-5-6-10)14(7-4-8-14)11(17)19-9-15/h10H,4-9H2,1-3H3
InChIKeyNSUSNEGWCBLXTA-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.05
Rot. Bonds4

About chloromethyl 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate

chloromethyl 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate (PubChem CID 165439687) has the molecular formula C14H22ClNO4 and a molecular weight of 303.79 g/mol. Its IUPAC name is chloromethyl 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namechloromethyl 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
PubChem CID165439687
Molecular FormulaC14H22ClNO4
Molecular Weight303.79 g/mol
Exact Mass303.12
IUPAC Namechloromethyl 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
SMILESCC(C)(C)OC(=O)N(C1CC1)C1(C(=O)OCCl)CCC1
InChIInChI=1S/C14H22ClNO4/c1-13(2,3)20-12(18)16(10-5-6-10)14(7-4-8-14)11(17)19-9-15/h10H,4-9H2,1-3H3
InChIKeyNSUSNEGWCBLXTA-UHFFFAOYSA-N
XLogP3.05
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-ethylcyclopentane-1-carboxylic acid
CID 64515227
ethyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
CID 67155525
chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylate
CID 158776488
1-O'-tert-butyl 1-O-(chloromethyl) cyclopropane-1,1-dicarboxylate
CID 155592238
chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexane-1-carboxylate
CID 158639517
7-O-tert-butyl 1-O-(chloromethyl) 7-azabicyclo[2.2.1]heptane-1,7-dicarboxylate
CID 165439001
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 103857628
tert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate
CID 50987781
tert-butyl N,N-di(cyclobutyl)carbamate
CID 162343429
1-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid
CID 84812701

Frequently Asked Questions

What is the IUPAC name of chloromethyl 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate?
The IUPAC name of chloromethyl 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate (CID 165439687) is chloromethyl 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate.
What is the SMILES notation for chloromethyl 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate?
The canonical SMILES for chloromethyl 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate is CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)OCCl)CCC1.
What is the InChIKey of chloromethyl 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate?
The InChIKey is NSUSNEGWCBLXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO4/c1-13(2,3)20-12(18)16(10-5-6-10)14(7-4-8-14)11(17)19-9-15/h10H,4-9H2,1-3H3.
What are the key properties of chloromethyl 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate?
chloromethyl 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate has a molecular weight of 303.79 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate is sourced from PubChem (CID 165439687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).