2-[N-[(4-hydroxycyclohexyl)carbamoyl]anilino]acetic acid

C15H20N2O4 — CID 61185084

IUPAC2-[N-[(4-hydroxycyclohexyl)carbamoyl]anilino]acetic acid
SMILESO=C(O)CN(C(=O)NC1CCC(O)CC1)c1ccccc1
InChIInChI=1S/C15H20N2O4/c18-13-8-6-11(7-9-13)16-15(21)17(10-14(19)20)12-4-2-1-3-5-12/h1-5,11,13,18H,6-10H2,(H,16,21)(H,19,20)
InChIKeyJDWXIKGRELQWBA-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.59
Rot. Bonds4

About 2-[N-[(4-hydroxycyclohexyl)carbamoyl]anilino]acetic acid

2-[N-[(4-hydroxycyclohexyl)carbamoyl]anilino]acetic acid (PubChem CID 61185084) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[N-[(4-hydroxycyclohexyl)carbamoyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-[(4-hydroxycyclohexyl)carbamoyl]anilino]acetic acid
PubChem CID61185084
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[N-[(4-hydroxycyclohexyl)carbamoyl]anilino]acetic acid
SMILESO=C(O)CN(C(=O)NC1CCC(O)CC1)c1ccccc1
InChIInChI=1S/C15H20N2O4/c18-13-8-6-11(7-9-13)16-15(21)17(10-14(19)20)12-4-2-1-3-5-12/h1-5,11,13,18H,6-10H2,(H,16,21)(H,19,20)
InChIKeyJDWXIKGRELQWBA-UHFFFAOYSA-N
XLogP1.59
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid
CID 61187931
2-[4-hydroxy-N-(piperidin-4-ylcarbamoyl)anilino]acetic acid
CID 61402704
1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea
CID 16783058
3-cyclohexyl-1-ethyl-1-phenylurea
CID 17371090
3-[N-(piperidin-4-ylcarbamoyl)anilino]propanoic acid
CID 61402703
2-[3-chloro-N-(oxan-4-ylcarbamoyl)anilino]acetic acid
CID 61202601
1-benzyl-3-cyclohexyl-1-phenylurea
CID 602977
2-[N-[(2-methoxycyclopentyl)carbamoyl]anilino]acetic acid
CID 62088266
1-(2-cyanoethyl)-3-cyclobutyl-1-phenylurea
CID 116654007
1-(4-aminophenyl)-3-cyclopropyl-1-ethylurea
CID 63233875
2-(N-(3-hydroxypyrrolidine-1-carbonyl)anilino)acetic acid
CID 55132152
2-[N-(thiolan-3-ylmethylcarbamoyl)anilino]acetic acid
CID 107297593

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(4-hydroxycyclohexyl)carbamoyl]anilino]acetic acid?
The IUPAC name of 2-[N-[(4-hydroxycyclohexyl)carbamoyl]anilino]acetic acid (CID 61185084) is 2-[N-[(4-hydroxycyclohexyl)carbamoyl]anilino]acetic acid.
What is the SMILES notation for 2-[N-[(4-hydroxycyclohexyl)carbamoyl]anilino]acetic acid?
The canonical SMILES for 2-[N-[(4-hydroxycyclohexyl)carbamoyl]anilino]acetic acid is O=C(O)CN(C(=O)NC1CCC(O)CC1)c1ccccc1.
What is the InChIKey of 2-[N-[(4-hydroxycyclohexyl)carbamoyl]anilino]acetic acid?
The InChIKey is JDWXIKGRELQWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-13-8-6-11(7-9-13)16-15(21)17(10-14(19)20)12-4-2-1-3-5-12/h1-5,11,13,18H,6-10H2,(H,16,21)(H,19,20).
What are the key properties of 2-[N-[(4-hydroxycyclohexyl)carbamoyl]anilino]acetic acid?
2-[N-[(4-hydroxycyclohexyl)carbamoyl]anilino]acetic acid has a molecular weight of 292.33 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(4-hydroxycyclohexyl)carbamoyl]anilino]acetic acid is sourced from PubChem (CID 61185084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).