(3-methylcycloheptyl)carbamic acid

C9H17NO2 — CID 143291001

IUPAC(3-methylcycloheptyl)carbamic acid
SMILESCC1CCCCC(NC(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-7-4-2-3-5-8(6-7)10-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyJIPHMBAGBVYXIV-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.22
Rot. Bonds1

About (3-methylcycloheptyl)carbamic acid

(3-methylcycloheptyl)carbamic acid (PubChem CID 143291001) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (3-methylcycloheptyl)carbamic acid.

Molecular Properties

Compound Name(3-methylcycloheptyl)carbamic acid
PubChem CID143291001
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(3-methylcycloheptyl)carbamic acid
SMILESCC1CCCCC(NC(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-7-4-2-3-5-8(6-7)10-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyJIPHMBAGBVYXIV-UHFFFAOYSA-N
XLogP2.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(3-methylcyclohexyl)carbamic acid
CID 67410451
N-[(3S)-3-methylcyclohexyl]acetamide
CID 143244343
ethane;N-(3-methylcyclohexyl)acetamide
CID 156753874
3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid
CID 62229888
[(1R,3R)-3-hydroxycycloheptyl]carbamic acid
CID 89396193
2-methyl-N-(3-methylcyclohexyl)propanamide
CID 60739958
cyclohexylcarbamic acid;hydrate
CID 172719994
2-amino-3-methyl-N-(3-methylcycloheptyl)butanamide
CID 59458270
cis-(1S,3R)-3-methylcyclohexane-1-carboxylic acid;N-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 158462495
(2R)-2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid
CID 78972462
2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid
CID 61198953
2-[(3-methylcyclohexyl)carbamoylamino]acetic acid
CID 43445727

Frequently Asked Questions

What is the IUPAC name of (3-methylcycloheptyl)carbamic acid?
The IUPAC name of (3-methylcycloheptyl)carbamic acid (CID 143291001) is (3-methylcycloheptyl)carbamic acid.
What is the SMILES notation for (3-methylcycloheptyl)carbamic acid?
The canonical SMILES for (3-methylcycloheptyl)carbamic acid is CC1CCCCC(NC(=O)O)C1.
What is the InChIKey of (3-methylcycloheptyl)carbamic acid?
The InChIKey is JIPHMBAGBVYXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-4-2-3-5-8(6-7)10-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of (3-methylcycloheptyl)carbamic acid?
(3-methylcycloheptyl)carbamic acid has a molecular weight of 171.24 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcycloheptyl)carbamic acid is sourced from PubChem (CID 143291001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).