2,2-dimethylheptan-3-ylcarbamic acid

C10H21NO2 — CID 175434707

IUPAC2,2-dimethylheptan-3-ylcarbamic acid
SMILESCCCCC(NC(=O)O)C(C)(C)C
InChIInChI=1S/C10H21NO2/c1-5-6-7-8(10(2,3)4)11-9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13)
InChIKeyZVVSXCDTORVWLS-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.86
Rot. Bonds4

About 2,2-dimethylheptan-3-ylcarbamic acid

2,2-dimethylheptan-3-ylcarbamic acid (PubChem CID 175434707) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2,2-dimethylheptan-3-ylcarbamic acid.

Molecular Properties

Compound Name2,2-dimethylheptan-3-ylcarbamic acid
PubChem CID175434707
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2,2-dimethylheptan-3-ylcarbamic acid
SMILESCCCCC(NC(=O)O)C(C)(C)C
InChIInChI=1S/C10H21NO2/c1-5-6-7-8(10(2,3)4)11-9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13)
InChIKeyZVVSXCDTORVWLS-UHFFFAOYSA-N
XLogP2.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2-hydroxy-2-methylheptan-3-yl)carbamic acid
CID 90115591
(1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid
CID 87203972
2,2-dimethylhept-6-en-3-ylcarbamic acid
CID 175244688
2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)hexanamide
CID 114176937
N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethylhexanamide
CID 114178195
N-(2,2,7,7-tetramethyloctan-3-yl)propanamide
CID 90347364
(6-amino-6-hydroxyimino-2,2-dimethylhexan-3-yl)carbamic acid
CID 173464238
2-oxoheptan-3-ylcarbamic acid
CID 87957715
3,3-dimethyl-2-(octan-4-ylcarbamoyl)butanoic acid
CID 106021463
(2S)-2-(2,3,3-trimethylbutanoylamino)hexanoic acid
CID 120615278
CID 87702087
CID 87702087
2-[(2-amino-3,3-dimethylbutanoyl)amino]hexanoic acid
CID 76894181

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylheptan-3-ylcarbamic acid?
The IUPAC name of 2,2-dimethylheptan-3-ylcarbamic acid (CID 175434707) is 2,2-dimethylheptan-3-ylcarbamic acid.
What is the SMILES notation for 2,2-dimethylheptan-3-ylcarbamic acid?
The canonical SMILES for 2,2-dimethylheptan-3-ylcarbamic acid is CCCCC(NC(=O)O)C(C)(C)C.
What is the InChIKey of 2,2-dimethylheptan-3-ylcarbamic acid?
The InChIKey is ZVVSXCDTORVWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-6-7-8(10(2,3)4)11-9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 2,2-dimethylheptan-3-ylcarbamic acid?
2,2-dimethylheptan-3-ylcarbamic acid has a molecular weight of 187.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylheptan-3-ylcarbamic acid is sourced from PubChem (CID 175434707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).