2-[3-[(2-hydroxyspiro[3.3]heptan-6-yl)carbamoyl]phenyl]acetic acid

C16H19NO4 — CID 166284878

IUPAC2-[3-[(2-hydroxyspiro[3.3]heptan-6-yl)carbamoyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(C(=O)NC2CC3(CC(O)C3)C2)c1
InChIInChI=1S/C16H19NO4/c18-13-8-16(9-13)6-12(7-16)17-15(21)11-3-1-2-10(4-11)5-14(19)20/h1-4,12-13,18H,5-9H2,(H,17,21)(H,19,20)
InChIKeyJWZKHCBRTLUZEW-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.35
Rot. Bonds4

About 2-[3-[(2-hydroxyspiro[3.3]heptan-6-yl)carbamoyl]phenyl]acetic acid

2-[3-[(2-hydroxyspiro[3.3]heptan-6-yl)carbamoyl]phenyl]acetic acid (PubChem CID 166284878) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[3-[(2-hydroxyspiro[3.3]heptan-6-yl)carbamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-hydroxyspiro[3.3]heptan-6-yl)carbamoyl]phenyl]acetic acid
PubChem CID166284878
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-[3-[(2-hydroxyspiro[3.3]heptan-6-yl)carbamoyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(C(=O)NC2CC3(CC(O)C3)C2)c1
InChIInChI=1S/C16H19NO4/c18-13-8-16(9-13)6-12(7-16)17-15(21)11-3-1-2-10(4-11)5-14(19)20/h1-4,12-13,18H,5-9H2,(H,17,21)(H,19,20)
InChIKeyJWZKHCBRTLUZEW-UHFFFAOYSA-N
XLogP1.35
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 146130635
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1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
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3-[2-[(2-methyloxan-4-yl)amino]-2-oxoethyl]benzoic acid
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N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
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CID 62591538
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CID 82178994

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-hydroxyspiro[3.3]heptan-6-yl)carbamoyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[(2-hydroxyspiro[3.3]heptan-6-yl)carbamoyl]phenyl]acetic acid (CID 166284878) is 2-[3-[(2-hydroxyspiro[3.3]heptan-6-yl)carbamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(2-hydroxyspiro[3.3]heptan-6-yl)carbamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(2-hydroxyspiro[3.3]heptan-6-yl)carbamoyl]phenyl]acetic acid is O=C(O)Cc1cccc(C(=O)NC2CC3(CC(O)C3)C2)c1.
What is the InChIKey of 2-[3-[(2-hydroxyspiro[3.3]heptan-6-yl)carbamoyl]phenyl]acetic acid?
The InChIKey is JWZKHCBRTLUZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c18-13-8-16(9-13)6-12(7-16)17-15(21)11-3-1-2-10(4-11)5-14(19)20/h1-4,12-13,18H,5-9H2,(H,17,21)(H,19,20).
What are the key properties of 2-[3-[(2-hydroxyspiro[3.3]heptan-6-yl)carbamoyl]phenyl]acetic acid?
2-[3-[(2-hydroxyspiro[3.3]heptan-6-yl)carbamoyl]phenyl]acetic acid has a molecular weight of 289.33 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-hydroxyspiro[3.3]heptan-6-yl)carbamoyl]phenyl]acetic acid is sourced from PubChem (CID 166284878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).