2-oxoheptan-3-ylcarbamic acid

C8H15NO3 — CID 87957715

IUPAC2-oxoheptan-3-ylcarbamic acid
SMILESCCCCC(NC(=O)O)C(C)=O
InChIInChI=1S/C8H15NO3/c1-3-4-5-7(6(2)10)9-8(11)12/h7,9H,3-5H2,1-2H3,(H,11,12)
InChIKeyFUJVYKQFCXGNRL-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.40
Rot. Bonds5

About 2-oxoheptan-3-ylcarbamic acid

2-oxoheptan-3-ylcarbamic acid (PubChem CID 87957715) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-oxoheptan-3-ylcarbamic acid.

Molecular Properties

Compound Name2-oxoheptan-3-ylcarbamic acid
PubChem CID87957715
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-oxoheptan-3-ylcarbamic acid
SMILESCCCCC(NC(=O)O)C(C)=O
InChIInChI=1S/C8H15NO3/c1-3-4-5-7(6(2)10)9-8(11)12/h7,9H,3-5H2,1-2H3,(H,11,12)
InChIKeyFUJVYKQFCXGNRL-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[(3R)-2-oxoheptan-3-yl]carbamate
CID 58257437
2-(1-carboxypentylamino)hexanoic acid
CID 22643835
3-(methylamino)nonan-2-one
CID 21024660
2-(tert-butylamino)-N-(2-oxooctan-3-yl)heptanamide
CID 134332061
(1-octoxy-1-oxoheptan-2-yl)carbamic acid
CID 21259369
(2S)-2-(3-oxobutanoylamino)hexanoic acid
CID 119089590
acetic acid;nonan-5-ol
CID 53445479
CID 59124121
CID 59124121
(2R)-2-(2-carboxyhydrazinyl)hexanoic acid
CID 124632402
(2R)-2-acetamidohexanoate
CID 6995105
(2S)-2-(2-carboxyhydrazinyl)hexanoic acid
CID 124632401
2,2-dimethylheptan-3-ylcarbamic acid
CID 175434707

Frequently Asked Questions

What is the IUPAC name of 2-oxoheptan-3-ylcarbamic acid?
The IUPAC name of 2-oxoheptan-3-ylcarbamic acid (CID 87957715) is 2-oxoheptan-3-ylcarbamic acid.
What is the SMILES notation for 2-oxoheptan-3-ylcarbamic acid?
The canonical SMILES for 2-oxoheptan-3-ylcarbamic acid is CCCCC(NC(=O)O)C(C)=O.
What is the InChIKey of 2-oxoheptan-3-ylcarbamic acid?
The InChIKey is FUJVYKQFCXGNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-4-5-7(6(2)10)9-8(11)12/h7,9H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-oxoheptan-3-ylcarbamic acid?
2-oxoheptan-3-ylcarbamic acid has a molecular weight of 173.21 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoheptan-3-ylcarbamic acid is sourced from PubChem (CID 87957715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).