[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid

C7H13NO3 — CID 20729705

IUPAC[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid
SMILESO=C(O)N[C@@H]1CC[C@H](CO)C1
InChIInChI=1S/C7H13NO3/c9-4-5-1-2-6(3-5)8-7(10)11/h5-6,8-9H,1-4H2,(H,10,11)/t5-,6+/m0/s1
InChIKeyGJNPSJIBVCGFPZ-NTSWFWBYSA-N
MW159.18 g/mol
LogP0.41
Rot. Bonds2

About [(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid

[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid (PubChem CID 20729705) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is [(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid.

Molecular Properties

Compound Name[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid
PubChem CID20729705
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid
SMILESO=C(O)N[C@@H]1CC[C@H](CO)C1
InChIInChI=1S/C7H13NO3/c9-4-5-1-2-6(3-5)8-7(10)11/h5-6,8-9H,1-4H2,(H,10,11)/t5-,6+/m0/s1
InChIKeyGJNPSJIBVCGFPZ-NTSWFWBYSA-N
XLogP0.41
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid?
The IUPAC name of [(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid (CID 20729705) is [(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid.
What is the SMILES notation for [(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid?
The canonical SMILES for [(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid is O=C(O)N[C@@H]1CC[C@H](CO)C1.
What is the InChIKey of [(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid?
The InChIKey is GJNPSJIBVCGFPZ-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H13NO3/c9-4-5-1-2-6(3-5)8-7(10)11/h5-6,8-9H,1-4H2,(H,10,11)/t5-,6+/m0/s1.
What are the key properties of [(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid?
[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid has a molecular weight of 159.18 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid is sourced from PubChem (CID 20729705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).