5-hydroxypentan-2-ylcarbamic acid

C6H13NO3 — CID 87586302

IUPAC5-hydroxypentan-2-ylcarbamic acid
SMILESCC(CCCO)NC(=O)O
InChIInChI=1S/C6H13NO3/c1-5(3-2-4-8)7-6(9)10/h5,7-8H,2-4H2,1H3,(H,9,10)
InChIKeySKCSDIRFLWICPU-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.41
Rot. Bonds4

About 5-hydroxypentan-2-ylcarbamic acid

5-hydroxypentan-2-ylcarbamic acid (PubChem CID 87586302) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 5-hydroxypentan-2-ylcarbamic acid.

Molecular Properties

Compound Name5-hydroxypentan-2-ylcarbamic acid
PubChem CID87586302
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name5-hydroxypentan-2-ylcarbamic acid
SMILESCC(CCCO)NC(=O)O
InChIInChI=1S/C6H13NO3/c1-5(3-2-4-8)7-6(9)10/h5,7-8H,2-4H2,1H3,(H,9,10)
InChIKeySKCSDIRFLWICPU-UHFFFAOYSA-N
XLogP0.41
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

7-(carboxyamino)octan-2-ylcarbamic acid
CID 146545695
[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114
1,4-dihydroxybutylcarbamic acid
CID 174782853
2,2-difluoro-N-(5-hydroxypentan-2-yl)acetamide
CID 103513967
5-(ethylamino)pentan-2-ylcarbamic acid
CID 87840492
[(4S)-1-hydroxyheptan-4-yl]carbamic acid
CID 87839547
[(2R)-4-iodobutan-2-yl]carbamic acid
CID 141075426
2-[2-(5-hydroxypentan-2-ylamino)-2-oxoethyl]sulfanylacetic acid
CID 104570148
non-8-en-2-ylcarbamic acid
CID 175945835
[(2S)-1-sulfanylpropan-2-yl]carbamic acid
CID 135369697
3-amino-N-(5-hydroxypentan-2-yl)-2-methoxypropanamide
CID 106113185
(2-cyano-6-hydroxy-2-methylhexan-3-yl)carbamic acid
CID 138487550

Frequently Asked Questions

What is the IUPAC name of 5-hydroxypentan-2-ylcarbamic acid?
The IUPAC name of 5-hydroxypentan-2-ylcarbamic acid (CID 87586302) is 5-hydroxypentan-2-ylcarbamic acid.
What is the SMILES notation for 5-hydroxypentan-2-ylcarbamic acid?
The canonical SMILES for 5-hydroxypentan-2-ylcarbamic acid is CC(CCCO)NC(=O)O.
What is the InChIKey of 5-hydroxypentan-2-ylcarbamic acid?
The InChIKey is SKCSDIRFLWICPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-5(3-2-4-8)7-6(9)10/h5,7-8H,2-4H2,1H3,(H,9,10).
What are the key properties of 5-hydroxypentan-2-ylcarbamic acid?
5-hydroxypentan-2-ylcarbamic acid has a molecular weight of 147.17 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypentan-2-ylcarbamic acid is sourced from PubChem (CID 87586302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).