2-[3-chloro-N-(oxetan-3-yl)anilino]acetic acid

C11H12ClNO3 — CID 83824916

IUPAC2-[3-chloro-N-(oxetan-3-yl)anilino]acetic acid
SMILESO=C(O)CN(c1cccc(Cl)c1)C1COC1
InChIInChI=1S/C11H12ClNO3/c12-8-2-1-3-9(4-8)13(5-11(14)15)10-6-16-7-10/h1-4,10H,5-7H2,(H,14,15)
InChIKeyWUMFEHARULFMJR-UHFFFAOYSA-N
MW241.67 g/mol
LogP1.63
Rot. Bonds4

About 2-[3-chloro-N-(oxetan-3-yl)anilino]acetic acid

2-[3-chloro-N-(oxetan-3-yl)anilino]acetic acid (PubChem CID 83824916) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is 2-[3-chloro-N-(oxetan-3-yl)anilino]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-N-(oxetan-3-yl)anilino]acetic acid
PubChem CID83824916
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name2-[3-chloro-N-(oxetan-3-yl)anilino]acetic acid
SMILESO=C(O)CN(c1cccc(Cl)c1)C1COC1
InChIInChI=1S/C11H12ClNO3/c12-8-2-1-3-9(4-8)13(5-11(14)15)10-6-16-7-10/h1-4,10H,5-7H2,(H,14,15)
InChIKeyWUMFEHARULFMJR-UHFFFAOYSA-N
XLogP1.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-N-cyclopentylanilino)acetic acid
CID 60833680
2-(3-chloro-N-(1,1-dioxothian-4-yl)anilino)acetic acid
CID 65057995
2-[3-chloro-N-(thiolan-3-yl)anilino]acetic acid
CID 65058138
2-(3-chloro-N-(2-hydroxycyclopentyl)anilino)acetic acid
CID 60883963
2-(3-chloro-N-(3,3,5-trimethylcyclohexyl)anilino)acetic acid
CID 65057695
2-(3-chloro-N-(4-methylthiolan-3-yl)anilino)acetic acid
CID 114285261
2-[4-chloro-N-(oxolan-3-yl)anilino]acetic acid
CID 63562630
2-[3-chloro-N-(oxolan-3-ylmethyl)anilino]acetic acid
CID 61311488
2-[3-chloro-N-(oxan-4-ylcarbamoyl)anilino]acetic acid
CID 61202601
2-[3-chloro-N-(1-cyclopropylpropyl)anilino]acetic acid
CID 65057499
2-[N-(carboxymethyl)-3-chloroanilino]acetate
CID 58908246
2-[3-chloro-N-(cyclopropylmethylsulfonyl)anilino]acetic acid
CID 64988017

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-N-(oxetan-3-yl)anilino]acetic acid?
The IUPAC name of 2-[3-chloro-N-(oxetan-3-yl)anilino]acetic acid (CID 83824916) is 2-[3-chloro-N-(oxetan-3-yl)anilino]acetic acid.
What is the SMILES notation for 2-[3-chloro-N-(oxetan-3-yl)anilino]acetic acid?
The canonical SMILES for 2-[3-chloro-N-(oxetan-3-yl)anilino]acetic acid is O=C(O)CN(c1cccc(Cl)c1)C1COC1.
What is the InChIKey of 2-[3-chloro-N-(oxetan-3-yl)anilino]acetic acid?
The InChIKey is WUMFEHARULFMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c12-8-2-1-3-9(4-8)13(5-11(14)15)10-6-16-7-10/h1-4,10H,5-7H2,(H,14,15).
What are the key properties of 2-[3-chloro-N-(oxetan-3-yl)anilino]acetic acid?
2-[3-chloro-N-(oxetan-3-yl)anilino]acetic acid has a molecular weight of 241.67 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-N-(oxetan-3-yl)anilino]acetic acid is sourced from PubChem (CID 83824916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).