propan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate

C11H21NO2 — CID 107412401

IUPACpropan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate
SMILESCC1CCC(CNC(=O)OC(C)C)C1
InChIInChI=1S/C11H21NO2/c1-8(2)14-11(13)12-7-10-5-4-9(3)6-10/h8-10H,4-7H2,1-3H3,(H,12,13)
InChIKeyPEGNPDYIRQSHAH-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.56
Rot. Bonds3

About propan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate

propan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate (PubChem CID 107412401) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is propan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate
PubChem CID107412401
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namepropan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate
SMILESCC1CCC(CNC(=O)OC(C)C)C1
InChIInChI=1S/C11H21NO2/c1-8(2)14-11(13)12-7-10-5-4-9(3)6-10/h8-10H,4-7H2,1-3H3,(H,12,13)
InChIKeyPEGNPDYIRQSHAH-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate
CID 116655183
2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107412345
(3-methylcyclopentyl)methylurea
CID 20542807
2-methyl-3-(methylamino)-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107413053
propan-2-yl N-(2-cyclopropylethyl)carbamate
CID 116656480
(2R)-2-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 107414492
propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate
CID 116655281
phenyl N-[(3-methylcyclopentyl)methyl]carbamate
CID 107415485
N-[(3-methylcyclopentyl)methyl]butanamide
CID 107415486
2-[1-[(3-methylcyclopentyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 107414675
2-[(3-methylcyclopentyl)methylcarbamoylamino]oxyacetic acid
CID 107414533
2,2,2-trifluoro-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107415477

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate?
The IUPAC name of propan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate (CID 107412401) is propan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate?
The canonical SMILES for propan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate is CC1CCC(CNC(=O)OC(C)C)C1.
What is the InChIKey of propan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate?
The InChIKey is PEGNPDYIRQSHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)14-11(13)12-7-10-5-4-9(3)6-10/h8-10H,4-7H2,1-3H3,(H,12,13).
What are the key properties of propan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate?
propan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate has a molecular weight of 199.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate is sourced from PubChem (CID 107412401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).