[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid

C8H15NO3 — CID 66597374

IUPAC[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
SMILESO=C(O)NCC1(CO)CCCC1
InChIInChI=1S/C8H15NO3/c10-6-8(3-1-2-4-8)5-9-7(11)12/h9-10H,1-6H2,(H,11,12)
InChIKeyBAXVZAIADCAUBA-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.81
Rot. Bonds3

About [1-(hydroxymethyl)cyclopentyl]methylcarbamic acid

[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid (PubChem CID 66597374) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is [1-(hydroxymethyl)cyclopentyl]methylcarbamic acid.

Molecular Properties

Compound Name[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
PubChem CID66597374
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
SMILESO=C(O)NCC1(CO)CCCC1
InChIInChI=1S/C8H15NO3/c10-6-8(3-1-2-4-8)5-9-7(11)12/h9-10H,1-6H2,(H,11,12)
InChIKeyBAXVZAIADCAUBA-UHFFFAOYSA-N
XLogP0.81
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
CID 110292599
ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide
CID 171523205
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 115362818
[1-(aminomethyl)cyclopropyl]methylcarbamic acid
CID 89477777
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115360089
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide
CID 115362678
(E)-4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-4-oxobut-2-enoic acid
CID 103965499
N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 110292524
1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide
CID 103966787
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-sulfanylpropanamide
CID 107034279
2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699817

Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)cyclopentyl]methylcarbamic acid?
The IUPAC name of [1-(hydroxymethyl)cyclopentyl]methylcarbamic acid (CID 66597374) is [1-(hydroxymethyl)cyclopentyl]methylcarbamic acid.
What is the SMILES notation for [1-(hydroxymethyl)cyclopentyl]methylcarbamic acid?
The canonical SMILES for [1-(hydroxymethyl)cyclopentyl]methylcarbamic acid is O=C(O)NCC1(CO)CCCC1.
What is the InChIKey of [1-(hydroxymethyl)cyclopentyl]methylcarbamic acid?
The InChIKey is BAXVZAIADCAUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c10-6-8(3-1-2-4-8)5-9-7(11)12/h9-10H,1-6H2,(H,11,12).
What are the key properties of [1-(hydroxymethyl)cyclopentyl]methylcarbamic acid?
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid has a molecular weight of 173.21 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)cyclopentyl]methylcarbamic acid is sourced from PubChem (CID 66597374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).