cyclopentyl(1-hydroxypropan-2-yl)carbamic acid

C9H17NO3 — CID 69264268

IUPACcyclopentyl(1-hydroxypropan-2-yl)carbamic acid
SMILESCC(CO)N(C(=O)O)C1CCCC1
InChIInChI=1S/C9H17NO3/c1-7(6-11)10(9(12)13)8-4-2-3-5-8/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKeyYCWHHXWPZIPSMF-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.29
Rot. Bonds3

About cyclopentyl(1-hydroxypropan-2-yl)carbamic acid

cyclopentyl(1-hydroxypropan-2-yl)carbamic acid (PubChem CID 69264268) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is cyclopentyl(1-hydroxypropan-2-yl)carbamic acid.

Molecular Properties

Compound Namecyclopentyl(1-hydroxypropan-2-yl)carbamic acid
PubChem CID69264268
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namecyclopentyl(1-hydroxypropan-2-yl)carbamic acid
SMILESCC(CO)N(C(=O)O)C1CCCC1
InChIInChI=1S/C9H17NO3/c1-7(6-11)10(9(12)13)8-4-2-3-5-8/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKeyYCWHHXWPZIPSMF-UHFFFAOYSA-N
XLogP1.29
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cycloheptyl-[1-(methylamino)propan-2-yl]carbamic acid
CID 69262893
2-[cyclopentyl(propan-2-yl)amino]propan-1-ol
CID 176871786
N-butan-2-yl-N-cycloheptylacetamide
CID 102519619
cyclohexyl-[1-(oxiran-2-yl)ethyl]carbamic acid
CID 87182283
2-chloro-N-cyclopentyl-N-propan-2-ylacetamide
CID 54592476
N-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide
CID 115869363
N-cyclopentyl-N-ethyl-2-methylpropanamide
CID 60738891
N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide
CID 20752266
4-amino-N-cyclopentyl-N-propan-2-ylpentanamide
CID 120560450
2-[(2-cyclopentyloxyacetyl)-cyclopropylamino]propanoic acid
CID 119202432
2-[cyclopentyl(4-methylpentan-2-yl)amino]acetic acid
CID 65058452
[(3R)-piperidin-3-yl]-propan-2-ylcarbamic acid
CID 66860335

Frequently Asked Questions

What is the IUPAC name of cyclopentyl(1-hydroxypropan-2-yl)carbamic acid?
The IUPAC name of cyclopentyl(1-hydroxypropan-2-yl)carbamic acid (CID 69264268) is cyclopentyl(1-hydroxypropan-2-yl)carbamic acid.
What is the SMILES notation for cyclopentyl(1-hydroxypropan-2-yl)carbamic acid?
The canonical SMILES for cyclopentyl(1-hydroxypropan-2-yl)carbamic acid is CC(CO)N(C(=O)O)C1CCCC1.
What is the InChIKey of cyclopentyl(1-hydroxypropan-2-yl)carbamic acid?
The InChIKey is YCWHHXWPZIPSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(6-11)10(9(12)13)8-4-2-3-5-8/h7-8,11H,2-6H2,1H3,(H,12,13).
What are the key properties of cyclopentyl(1-hydroxypropan-2-yl)carbamic acid?
cyclopentyl(1-hydroxypropan-2-yl)carbamic acid has a molecular weight of 187.24 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(1-hydroxypropan-2-yl)carbamic acid is sourced from PubChem (CID 69264268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).