2-(oxan-3-yl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid

C17H29NO4 — CID 120547811

IUPAC2-(oxan-3-yl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid
SMILESCC(C)C1CCC(C(=O)NC(C(=O)O)C2CCCOC2)CC1
InChIInChI=1S/C17H29NO4/c1-11(2)12-5-7-13(8-6-12)16(19)18-15(17(20)21)14-4-3-9-22-10-14/h11-15H,3-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyAPJXCGJWLDNHOJ-UHFFFAOYSA-N
MW311.42 g/mol
LogP2.44
Rot. Bonds5

About 2-(oxan-3-yl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid

2-(oxan-3-yl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid (PubChem CID 120547811) has the molecular formula C17H29NO4 and a molecular weight of 311.42 g/mol. Its IUPAC name is 2-(oxan-3-yl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-(oxan-3-yl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid
PubChem CID120547811
Molecular FormulaC17H29NO4
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC Name2-(oxan-3-yl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid
SMILESCC(C)C1CCC(C(=O)NC(C(=O)O)C2CCCOC2)CC1
InChIInChI=1S/C17H29NO4/c1-11(2)12-5-7-13(8-6-12)16(19)18-15(17(20)21)14-4-3-9-22-10-14/h11-15H,3-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyAPJXCGJWLDNHOJ-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methyloxane-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548454
2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548446
2-(oxan-3-yl)-2-(oxolane-2-carbonylamino)acetic acid
CID 120548683
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770
2-(2-ethoxypropanoylamino)-2-(oxan-3-yl)acetic acid
CID 120549024
2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2-(oxan-3-yl)acetic acid
CID 120549000
2-(3-methylhexanoylamino)-2-(oxan-3-yl)acetic acid
CID 120547953
ethane;3-propan-2-yloxane
CID 143985480
2-(oxan-3-yl)-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 120547503
2-[(4-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120549071
2-[(3,5-dimethylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547871
(2S)-2-(methoxymethylamino)-2-[(3R)-oxan-3-yl]acetic acid
CID 126599456

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid?
The IUPAC name of 2-(oxan-3-yl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid (CID 120547811) is 2-(oxan-3-yl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid.
What is the SMILES notation for 2-(oxan-3-yl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid?
The canonical SMILES for 2-(oxan-3-yl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid is CC(C)C1CCC(C(=O)NC(C(=O)O)C2CCCOC2)CC1.
What is the InChIKey of 2-(oxan-3-yl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid?
The InChIKey is APJXCGJWLDNHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4/c1-11(2)12-5-7-13(8-6-12)16(19)18-15(17(20)21)14-4-3-9-22-10-14/h11-15H,3-10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-(oxan-3-yl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid?
2-(oxan-3-yl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid has a molecular weight of 311.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid is sourced from PubChem (CID 120547811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).