cyclopentane;propan-2-ylcarbamic acid

C9H19NO2 — CID 169143516

IUPACcyclopentane;propan-2-ylcarbamic acid
SMILESC1CCCC1.CC(C)NC(=O)O
InChIInChI=1S/C5H10.C4H9NO2/c1-2-4-5-3-1;1-3(2)5-4(6)7/h1-5H2;3,5H,1-2H3,(H,6,7)
InChIKeyIMDZRHQLSJCRHX-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.61
Rot. Bonds1

About cyclopentane;propan-2-ylcarbamic acid

cyclopentane;propan-2-ylcarbamic acid (PubChem CID 169143516) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is cyclopentane;propan-2-ylcarbamic acid.

Molecular Properties

Compound Namecyclopentane;propan-2-ylcarbamic acid
PubChem CID169143516
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namecyclopentane;propan-2-ylcarbamic acid
SMILESC1CCCC1.CC(C)NC(=O)O
InChIInChI=1S/C5H10.C4H9NO2/c1-2-4-5-3-1;1-3(2)5-4(6)7/h1-5H2;3,5H,1-2H3,(H,6,7)
InChIKeyIMDZRHQLSJCRHX-UHFFFAOYSA-N
XLogP2.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Butan-2-amine;butan-2-ylcarbamic acid
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Cyclopentane;propylcarbamic acid
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Cyclopentylcarbamic acid
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Pentan-3-ylcarbamic acid
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5-Trimethylstannylpentan-2-ylcarbamic acid
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[(1S,3S)-3-(dimethylamino)cyclopentyl]carbamic acid
CID 21308730
Pentan-2-ylcarbamic acid
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Frequently Asked Questions

What is the IUPAC name of cyclopentane;propan-2-ylcarbamic acid?
The IUPAC name of cyclopentane;propan-2-ylcarbamic acid (CID 169143516) is cyclopentane;propan-2-ylcarbamic acid.
What is the SMILES notation for cyclopentane;propan-2-ylcarbamic acid?
The canonical SMILES for cyclopentane;propan-2-ylcarbamic acid is C1CCCC1.CC(C)NC(=O)O.
What is the InChIKey of cyclopentane;propan-2-ylcarbamic acid?
The InChIKey is IMDZRHQLSJCRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C4H9NO2/c1-2-4-5-3-1;1-3(2)5-4(6)7/h1-5H2;3,5H,1-2H3,(H,6,7).
What are the key properties of cyclopentane;propan-2-ylcarbamic acid?
cyclopentane;propan-2-ylcarbamic acid has a molecular weight of 173.26 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;propan-2-ylcarbamic acid is sourced from PubChem (CID 169143516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).