methyl N-[1-[(3R,4S)-3,4-dimethylcyclopentyl]-2-oxopropyl]carbamate

C12H21NO3 — CID 126547608

IUPACmethyl N-[1-[(3R,4S)-3,4-dimethylcyclopentyl]-2-oxopropyl]carbamate
SMILESCOC(=O)NC(C(C)=O)C1C[C@@H](C)[C@@H](C)C1
InChIInChI=1S/C12H21NO3/c1-7-5-10(6-8(7)2)11(9(3)14)13-12(15)16-4/h7-8,10-11H,5-6H2,1-4H3,(H,13,15)/t7-,8+,10?,11?
InChIKeyGYUODFFOOKSVMC-JZVMUCMXSA-N
MW227.30 g/mol
LogP1.98
Rot. Bonds3

About methyl N-[1-[(3R,4S)-3,4-dimethylcyclopentyl]-2-oxopropyl]carbamate

methyl N-[1-[(3R,4S)-3,4-dimethylcyclopentyl]-2-oxopropyl]carbamate (PubChem CID 126547608) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl N-[1-[(3R,4S)-3,4-dimethylcyclopentyl]-2-oxopropyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[(3R,4S)-3,4-dimethylcyclopentyl]-2-oxopropyl]carbamate
PubChem CID126547608
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl N-[1-[(3R,4S)-3,4-dimethylcyclopentyl]-2-oxopropyl]carbamate
SMILESCOC(=O)NC(C(C)=O)C1C[C@@H](C)[C@@H](C)C1
InChIInChI=1S/C12H21NO3/c1-7-5-10(6-8(7)2)11(9(3)14)13-12(15)16-4/h7-8,10-11H,5-6H2,1-4H3,(H,13,15)/t7-,8+,10?,11?
InChIKeyGYUODFFOOKSVMC-JZVMUCMXSA-N
XLogP1.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methyl N-(1-cyclopropyl-2-oxopropyl)carbamate
CID 143630049
2-(methoxycarbonylamino)-2-(6-methyl-3-bicyclo[3.1.0]hexanyl)acetic acid
CID 123154455
(2S)-2-[(2R,6R)-2,6-dimethyloxan-4-yl]-2-(methoxycarbonylamino)acetic acid
CID 66746681
methyl N-(1-cyclopropyl-2-methylbut-2-enyl)carbamate
CID 118066650
2-(6-methyl-3-bicyclo[3.1.0]hexanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 123626881
(2R)-2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid
CID 86330213
(2S)-2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid
CID 66981887
(2S)-2-(methoxycarbonylamino)-2-[(2R,4S)-2-methyl-6-propyloxan-4-yl]acetic acid
CID 90143930
ethyl (2S)-2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyl-6-propyloxan-4-yl]acetate
CID 90144002
ethyl (2S)-2-(methoxycarbonylamino)-2-[(2R,4S)-2-methyl-6-propyloxan-4-yl]acetate
CID 90143979
methyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate
CID 126658283
lithium 2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetate
CID 59264533

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[(3R,4S)-3,4-dimethylcyclopentyl]-2-oxopropyl]carbamate?
The IUPAC name of methyl N-[1-[(3R,4S)-3,4-dimethylcyclopentyl]-2-oxopropyl]carbamate (CID 126547608) is methyl N-[1-[(3R,4S)-3,4-dimethylcyclopentyl]-2-oxopropyl]carbamate.
What is the SMILES notation for methyl N-[1-[(3R,4S)-3,4-dimethylcyclopentyl]-2-oxopropyl]carbamate?
The canonical SMILES for methyl N-[1-[(3R,4S)-3,4-dimethylcyclopentyl]-2-oxopropyl]carbamate is COC(=O)NC(C(C)=O)C1C[C@@H](C)[C@@H](C)C1.
What is the InChIKey of methyl N-[1-[(3R,4S)-3,4-dimethylcyclopentyl]-2-oxopropyl]carbamate?
The InChIKey is GYUODFFOOKSVMC-JZVMUCMXSA-N. The full InChI is InChI=1S/C12H21NO3/c1-7-5-10(6-8(7)2)11(9(3)14)13-12(15)16-4/h7-8,10-11H,5-6H2,1-4H3,(H,13,15)/t7-,8+,10?,11?.
What are the key properties of methyl N-[1-[(3R,4S)-3,4-dimethylcyclopentyl]-2-oxopropyl]carbamate?
methyl N-[1-[(3R,4S)-3,4-dimethylcyclopentyl]-2-oxopropyl]carbamate has a molecular weight of 227.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[(3R,4S)-3,4-dimethylcyclopentyl]-2-oxopropyl]carbamate is sourced from PubChem (CID 126547608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).