2-[4-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxan-4-yl]acetic acid

C17H29NO4 — CID 120521419

IUPAC2-[4-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxan-4-yl]acetic acid
SMILESCC(C)C1CCC(C(=O)NC2(CC(=O)O)CCOCC2)CC1
InChIInChI=1S/C17H29NO4/c1-12(2)13-3-5-14(6-4-13)16(21)18-17(11-15(19)20)7-9-22-10-8-17/h12-14H,3-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyFZNLTWGBZGKQKE-UHFFFAOYSA-N
MW311.42 g/mol
LogP2.59
Rot. Bonds5

About 2-[4-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxan-4-yl]acetic acid

2-[4-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxan-4-yl]acetic acid (PubChem CID 120521419) has the molecular formula C17H29NO4 and a molecular weight of 311.42 g/mol. Its IUPAC name is 2-[4-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxan-4-yl]acetic acid
PubChem CID120521419
Molecular FormulaC17H29NO4
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC Name2-[4-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxan-4-yl]acetic acid
SMILESCC(C)C1CCC(C(=O)NC2(CC(=O)O)CCOCC2)CC1
InChIInChI=1S/C17H29NO4/c1-12(2)13-3-5-14(6-4-13)16(21)18-17(11-15(19)20)7-9-22-10-8-17/h12-14H,3-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyFZNLTWGBZGKQKE-UHFFFAOYSA-N
XLogP2.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid
CID 120532697
2-[4-[(5-methyloxolane-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 120521391
2-[4-(3-cyclohexylbutanoylamino)oxan-4-yl]acetic acid
CID 119214680
N-[4-(bromomethyl)oxan-4-yl]-4-methylcyclohexane-1-carboxamide
CID 114171042
4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide
CID 106298573
2-[1-(cyclopentanecarbonylamino)cyclobutyl]acetic acid
CID 79849092
2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid
CID 65019610
2-[4-(3-methylhexanoylamino)oxan-4-yl]acetic acid
CID 119215184
1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide
CID 104630361
N-[4-(chloromethyl)oxan-4-yl]cyclooctanecarboxamide
CID 114170539
N-[4-(hydroxymethyl)oxan-4-yl]thiolane-3-carboxamide
CID 104630422
N-[4-(bromomethyl)oxan-4-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106300834

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxan-4-yl]acetic acid (CID 120521419) is 2-[4-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxan-4-yl]acetic acid is CC(C)C1CCC(C(=O)NC2(CC(=O)O)CCOCC2)CC1.
What is the InChIKey of 2-[4-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxan-4-yl]acetic acid?
The InChIKey is FZNLTWGBZGKQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4/c1-12(2)13-3-5-14(6-4-13)16(21)18-17(11-15(19)20)7-9-22-10-8-17/h12-14H,3-11H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 2-[4-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxan-4-yl]acetic acid?
2-[4-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxan-4-yl]acetic acid has a molecular weight of 311.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 120521419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).