2-[4-chloro-N-[(2-methyloxolan-3-yl)carbamoyl]anilino]acetic acid

C14H17ClN2O4 — CID 82728391

IUPAC2-[4-chloro-N-[(2-methyloxolan-3-yl)carbamoyl]anilino]acetic acid
SMILESCC1OCCC1NC(=O)N(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O4/c1-9-12(6-7-21-9)16-14(20)17(8-13(18)19)11-4-2-10(15)3-5-11/h2-5,9,12H,6-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyRCHPCTDEMLCMBS-UHFFFAOYSA-N
MW312.75 g/mol
LogP2.12
Rot. Bonds4

About 2-[4-chloro-N-[(2-methyloxolan-3-yl)carbamoyl]anilino]acetic acid

2-[4-chloro-N-[(2-methyloxolan-3-yl)carbamoyl]anilino]acetic acid (PubChem CID 82728391) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is 2-[4-chloro-N-[(2-methyloxolan-3-yl)carbamoyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-N-[(2-methyloxolan-3-yl)carbamoyl]anilino]acetic acid
PubChem CID82728391
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name2-[4-chloro-N-[(2-methyloxolan-3-yl)carbamoyl]anilino]acetic acid
SMILESCC1OCCC1NC(=O)N(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O4/c1-9-12(6-7-21-9)16-14(20)17(8-13(18)19)11-4-2-10(15)3-5-11/h2-5,9,12H,6-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyRCHPCTDEMLCMBS-UHFFFAOYSA-N
XLogP2.12
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-N-(2-methylpropylcarbamoyl)anilino]acetic acid
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2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid
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2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 62586659
2-chloro-N-(2-methyloxolan-3-yl)furan-3-carboxamide
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2-[N-(butylcarbamoyl)-4-chloroanilino]acetic acid
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2-[4-chloro-N-(thiolan-2-ylmethylcarbamoyl)anilino]acetic acid
CID 80584033
2-[3-chloro-N-(oxan-4-ylcarbamoyl)anilino]acetic acid
CID 61202601
2-(4-chloro-N-[2-(methylamino)acetyl]anilino)acetic acid
CID 61162445
2-[4-chloro-N-(2,2-difluoroethylcarbamoyl)anilino]acetic acid
CID 115408035
2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid
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2-[N-[(4-hydroxycyclohexyl)carbamoyl]anilino]acetic acid
CID 61185084

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-[(2-methyloxolan-3-yl)carbamoyl]anilino]acetic acid?
The IUPAC name of 2-[4-chloro-N-[(2-methyloxolan-3-yl)carbamoyl]anilino]acetic acid (CID 82728391) is 2-[4-chloro-N-[(2-methyloxolan-3-yl)carbamoyl]anilino]acetic acid.
What is the SMILES notation for 2-[4-chloro-N-[(2-methyloxolan-3-yl)carbamoyl]anilino]acetic acid?
The canonical SMILES for 2-[4-chloro-N-[(2-methyloxolan-3-yl)carbamoyl]anilino]acetic acid is CC1OCCC1NC(=O)N(CC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-chloro-N-[(2-methyloxolan-3-yl)carbamoyl]anilino]acetic acid?
The InChIKey is RCHPCTDEMLCMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-9-12(6-7-21-9)16-14(20)17(8-13(18)19)11-4-2-10(15)3-5-11/h2-5,9,12H,6-8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[4-chloro-N-[(2-methyloxolan-3-yl)carbamoyl]anilino]acetic acid?
2-[4-chloro-N-[(2-methyloxolan-3-yl)carbamoyl]anilino]acetic acid has a molecular weight of 312.75 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-N-[(2-methyloxolan-3-yl)carbamoyl]anilino]acetic acid is sourced from PubChem (CID 82728391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).