methyl N-[(3R)-2-oxoheptan-3-yl]carbamate

C9H17NO3 — CID 58257437

IUPACmethyl N-[(3R)-2-oxoheptan-3-yl]carbamate
SMILESCCCC[C@@H](NC(=O)OC)C(C)=O
InChIInChI=1S/C9H17NO3/c1-4-5-6-8(7(2)11)10-9(12)13-3/h8H,4-6H2,1-3H3,(H,10,12)/t8-/m1/s1
InChIKeyLAXLODCZYWWVFW-MRVPVSSYSA-N
MW187.24 g/mol
LogP1.49
Rot. Bonds5

About methyl N-[(3R)-2-oxoheptan-3-yl]carbamate

methyl N-[(3R)-2-oxoheptan-3-yl]carbamate (PubChem CID 58257437) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl N-[(3R)-2-oxoheptan-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(3R)-2-oxoheptan-3-yl]carbamate
PubChem CID58257437
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl N-[(3R)-2-oxoheptan-3-yl]carbamate
SMILESCCCC[C@@H](NC(=O)OC)C(C)=O
InChIInChI=1S/C9H17NO3/c1-4-5-6-8(7(2)11)10-9(12)13-3/h8H,4-6H2,1-3H3,(H,10,12)/t8-/m1/s1
InChIKeyLAXLODCZYWWVFW-MRVPVSSYSA-N
XLogP1.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(methoxycarbonylamino)hexanoate
CID 91718664
methyl N-(6-fluoro-2-oxohexan-3-yl)carbamate
CID 118376940
propyl 2-(methoxycarbonylamino)hexanoate
CID 91718656
2-oxoheptan-3-ylcarbamic acid
CID 87957715
propyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate
CID 91718605
pentadecyl 2-(methoxycarbonylamino)octanoate
CID 91726033
methyl N-(5-methyl-2-oxohexan-3-yl)carbamate
CID 76748029
methyl N-(2-methyl-3-oxohept-1-en-4-yl)carbamate
CID 163422911
methyl N-[1-(methoxycarbonylamino)butyl]carbamate
CID 174942846
methyl N-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]carbamate
CID 10564024
3-(methylamino)nonan-2-one
CID 21024660
2-(tert-butylamino)-N-(2-oxooctan-3-yl)heptanamide
CID 134332061

Frequently Asked Questions

What is the IUPAC name of methyl N-[(3R)-2-oxoheptan-3-yl]carbamate?
The IUPAC name of methyl N-[(3R)-2-oxoheptan-3-yl]carbamate (CID 58257437) is methyl N-[(3R)-2-oxoheptan-3-yl]carbamate.
What is the SMILES notation for methyl N-[(3R)-2-oxoheptan-3-yl]carbamate?
The canonical SMILES for methyl N-[(3R)-2-oxoheptan-3-yl]carbamate is CCCC[C@@H](NC(=O)OC)C(C)=O.
What is the InChIKey of methyl N-[(3R)-2-oxoheptan-3-yl]carbamate?
The InChIKey is LAXLODCZYWWVFW-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-5-6-8(7(2)11)10-9(12)13-3/h8H,4-6H2,1-3H3,(H,10,12)/t8-/m1/s1.
What are the key properties of methyl N-[(3R)-2-oxoheptan-3-yl]carbamate?
methyl N-[(3R)-2-oxoheptan-3-yl]carbamate has a molecular weight of 187.24 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3R)-2-oxoheptan-3-yl]carbamate is sourced from PubChem (CID 58257437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).