trans-(1S,3S)-3-hydroxycyclopentane-1-carboxylic acid

C6H10O3 — CID 54492716

IUPACtrans-(1S,3S)-3-hydroxycyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@H](O)C1
InChIInChI=1S/C6H10O3/c7-5-2-1-4(3-5)6(8)9/h4-5,7H,1-3H2,(H,8,9)/t4-,5-/m0/s1
InChIKeyXWWQLKYMTLWXKN-WHFBIAKZSA-N
MW130.14 g/mol
LogP0.23
Rot. Bonds1

About trans-(1S,3S)-3-hydroxycyclopentane-1-carboxylic acid

trans-(1S,3S)-3-hydroxycyclopentane-1-carboxylic acid (PubChem CID 54492716) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is trans-(1S,3S)-3-hydroxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,3S)-3-hydroxycyclopentane-1-carboxylic acid
PubChem CID54492716
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Nametrans-(1S,3S)-3-hydroxycyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@H](O)C1
InChIInChI=1S/C6H10O3/c7-5-2-1-4(3-5)6(8)9/h4-5,7H,1-3H2,(H,8,9)/t4-,5-/m0/s1
InChIKeyXWWQLKYMTLWXKN-WHFBIAKZSA-N
XLogP0.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxycyclopentanecarboxylic acid
CID 15153193
Cyclopentanecarboxylic acid, 3-hydroxy-, methyl ester
CID 520596
3-(Tert-butoxy)cyclopentane-1-carboxylic acid
CID 18952950
Ethyl 3-hydroxycyclopentanecarboxylate
CID 53407781
(1R,3S)-3-methoxycyclopentane-1-carboxylic acid
CID 55298805
rac-2-[(1R,3S)-3-hydroxycyclopentyl]acetic acid
CID 55299505
rel-(1R,2R)-4-Hydroxy-1,2-cyclopentanedicarboxylic acid
CID 57737501
2-[(1R,3S)-rel-3-Hydroxycyclopentyl]acetic acid
CID 66658755
(1S,3R)-3-Methoxycyclopentane-1-carboxylic acid
CID 70648251
rac-(3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylic acid
CID 137374362
(1S,3S,4S)-ethyl 3-fluoro-4-hydroxycyclopentanecarboxylate
CID 86626208
(1S,3R)-3-Hydroxycyclopentanecarboxylic acid
CID 45076184

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-hydroxycyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1S,3S)-3-hydroxycyclopentane-1-carboxylic acid (CID 54492716) is trans-(1S,3S)-3-hydroxycyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,3S)-3-hydroxycyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1S,3S)-3-hydroxycyclopentane-1-carboxylic acid is O=C(O)[C@H]1CC[C@H](O)C1.
What is the InChIKey of trans-(1S,3S)-3-hydroxycyclopentane-1-carboxylic acid?
The InChIKey is XWWQLKYMTLWXKN-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H10O3/c7-5-2-1-4(3-5)6(8)9/h4-5,7H,1-3H2,(H,8,9)/t4-,5-/m0/s1.
What are the key properties of trans-(1S,3S)-3-hydroxycyclopentane-1-carboxylic acid?
trans-(1S,3S)-3-hydroxycyclopentane-1-carboxylic acid has a molecular weight of 130.14 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-hydroxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 54492716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).