2-(3-chloro-N-(2-methylpiperidine-1-carbonyl)anilino)acetic acid

C15H19ClN2O3 — CID 61188614

IUPAC2-(3-chloro-N-(2-methylpiperidine-1-carbonyl)anilino)acetic acid
SMILESCC1CCCCN1C(=O)N(CC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O3/c1-11-5-2-3-8-17(11)15(21)18(10-14(19)20)13-7-4-6-12(16)9-13/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,19,20)
InChIKeyWUDSUBNTQYHHHH-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.23
Rot. Bonds3

About 2-(3-chloro-N-(2-methylpiperidine-1-carbonyl)anilino)acetic acid

2-(3-chloro-N-(2-methylpiperidine-1-carbonyl)anilino)acetic acid (PubChem CID 61188614) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-(3-chloro-N-(2-methylpiperidine-1-carbonyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-N-(2-methylpiperidine-1-carbonyl)anilino)acetic acid
PubChem CID61188614
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name2-(3-chloro-N-(2-methylpiperidine-1-carbonyl)anilino)acetic acid
SMILESCC1CCCCN1C(=O)N(CC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O3/c1-11-5-2-3-8-17(11)15(21)18(10-14(19)20)13-7-4-6-12(16)9-13/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,19,20)
InChIKeyWUDSUBNTQYHHHH-UHFFFAOYSA-N
XLogP3.23
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-N-[2-(cyclopropylamino)acetyl]anilino)acetic acid
CID 61159944
2-(3-chloro-N-cyclopentylanilino)acetic acid
CID 60833680
2-[3-chloro-N-(oxan-4-ylcarbamoyl)anilino]acetic acid
CID 61202601
2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid
CID 54996152
2-[3-chloro-N-(3-methylbutan-2-ylcarbamoyl)anilino]acetic acid
CID 61186137
2-(3-chloro-N-(2,2,3,3-tetramethylcyclopropanecarbonyl)anilino)acetic acid
CID 66476459
2-(4-chloro-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid
CID 61186885
1-[1-(3-chlorophenyl)ethenyl]-2-methylpiperidine
CID 123291998
2-[3-chloro-N-(3-methylpentan-2-ylcarbamoyl)anilino]acetic acid
CID 61465565
2-[3-chloro-N-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]anilino]acetic acid
CID 61465880
2-[2-(3-chlorophenoxy)ethylsulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 112768953
2-(3-chloro-N-(2,2,2-trifluoroacetyl)anilino)acetic acid
CID 54897844

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(2-methylpiperidine-1-carbonyl)anilino)acetic acid?
The IUPAC name of 2-(3-chloro-N-(2-methylpiperidine-1-carbonyl)anilino)acetic acid (CID 61188614) is 2-(3-chloro-N-(2-methylpiperidine-1-carbonyl)anilino)acetic acid.
What is the SMILES notation for 2-(3-chloro-N-(2-methylpiperidine-1-carbonyl)anilino)acetic acid?
The canonical SMILES for 2-(3-chloro-N-(2-methylpiperidine-1-carbonyl)anilino)acetic acid is CC1CCCCN1C(=O)N(CC(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chloro-N-(2-methylpiperidine-1-carbonyl)anilino)acetic acid?
The InChIKey is WUDSUBNTQYHHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-11-5-2-3-8-17(11)15(21)18(10-14(19)20)13-7-4-6-12(16)9-13/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,19,20).
What are the key properties of 2-(3-chloro-N-(2-methylpiperidine-1-carbonyl)anilino)acetic acid?
2-(3-chloro-N-(2-methylpiperidine-1-carbonyl)anilino)acetic acid has a molecular weight of 310.78 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(2-methylpiperidine-1-carbonyl)anilino)acetic acid is sourced from PubChem (CID 61188614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).