2-(3-chloro-N-(2-hydroxycyclopentyl)anilino)acetic acid

C13H16ClNO3 — CID 60883963

IUPAC2-(3-chloro-N-(2-hydroxycyclopentyl)anilino)acetic acid
SMILESO=C(O)CN(c1cccc(Cl)c1)C1CCCC1O
InChIInChI=1S/C13H16ClNO3/c14-9-3-1-4-10(7-9)15(8-13(17)18)11-5-2-6-12(11)16/h1,3-4,7,11-12,16H,2,5-6,8H2,(H,17,18)
InChIKeyBYRJZOKAVSALAK-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.14
Rot. Bonds4

About 2-(3-chloro-N-(2-hydroxycyclopentyl)anilino)acetic acid

2-(3-chloro-N-(2-hydroxycyclopentyl)anilino)acetic acid (PubChem CID 60883963) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-(3-chloro-N-(2-hydroxycyclopentyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-N-(2-hydroxycyclopentyl)anilino)acetic acid
PubChem CID60883963
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-(3-chloro-N-(2-hydroxycyclopentyl)anilino)acetic acid
SMILESO=C(O)CN(c1cccc(Cl)c1)C1CCCC1O
InChIInChI=1S/C13H16ClNO3/c14-9-3-1-4-10(7-9)15(8-13(17)18)11-5-2-6-12(11)16/h1,3-4,7,11-12,16H,2,5-6,8H2,(H,17,18)
InChIKeyBYRJZOKAVSALAK-UHFFFAOYSA-N
XLogP2.14
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(2-hydroxycyclopentyl)anilino)acetic acid?
The IUPAC name of 2-(3-chloro-N-(2-hydroxycyclopentyl)anilino)acetic acid (CID 60883963) is 2-(3-chloro-N-(2-hydroxycyclopentyl)anilino)acetic acid.
What is the SMILES notation for 2-(3-chloro-N-(2-hydroxycyclopentyl)anilino)acetic acid?
The canonical SMILES for 2-(3-chloro-N-(2-hydroxycyclopentyl)anilino)acetic acid is O=C(O)CN(c1cccc(Cl)c1)C1CCCC1O.
What is the InChIKey of 2-(3-chloro-N-(2-hydroxycyclopentyl)anilino)acetic acid?
The InChIKey is BYRJZOKAVSALAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c14-9-3-1-4-10(7-9)15(8-13(17)18)11-5-2-6-12(11)16/h1,3-4,7,11-12,16H,2,5-6,8H2,(H,17,18).
What are the key properties of 2-(3-chloro-N-(2-hydroxycyclopentyl)anilino)acetic acid?
2-(3-chloro-N-(2-hydroxycyclopentyl)anilino)acetic acid has a molecular weight of 269.73 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(2-hydroxycyclopentyl)anilino)acetic acid is sourced from PubChem (CID 60883963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).