2-[(4-tert-butylcyclohexanecarbonyl)amino]-3-hydroxybutanoic acid

C15H27NO4 — CID 43238721

IUPAC2-[(4-tert-butylcyclohexanecarbonyl)amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)C1CCC(C(C)(C)C)CC1)C(=O)O
InChIInChI=1S/C15H27NO4/c1-9(17)12(14(19)20)16-13(18)10-5-7-11(8-6-10)15(2,3)4/h9-12,17H,5-8H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyKOKBMIUDUXUADV-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.79
Rot. Bonds4

About 2-[(4-tert-butylcyclohexanecarbonyl)amino]-3-hydroxybutanoic acid

2-[(4-tert-butylcyclohexanecarbonyl)amino]-3-hydroxybutanoic acid (PubChem CID 43238721) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-[(4-tert-butylcyclohexanecarbonyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(4-tert-butylcyclohexanecarbonyl)amino]-3-hydroxybutanoic acid
PubChem CID43238721
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name2-[(4-tert-butylcyclohexanecarbonyl)amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)C1CCC(C(C)(C)C)CC1)C(=O)O
InChIInChI=1S/C15H27NO4/c1-9(17)12(14(19)20)16-13(18)10-5-7-11(8-6-10)15(2,3)4/h9-12,17H,5-8H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyKOKBMIUDUXUADV-UHFFFAOYSA-N
XLogP1.79
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 78975872
N-[1-(4-tert-butylazepan-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110015863
(2S,3R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-hydroxybutanoic acid
CID 104965247
methyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate
CID 113257909
3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-methylpropanoic acid
CID 62674977
N-(1-bromo-3-methylbutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 114316175
(2S,3S)-3-hydroxy-2-[(3-sulfocyclopentanecarbonyl)amino]butanoic acid
CID 140895558
4-amino-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-oxobutanoic acid
CID 43092294
3-hydroxy-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)butanoic acid
CID 113424717
4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 83030657
2-(cyclohex-3-ene-1-carbonylamino)-3-hydroxybutanoic acid
CID 24699400
N-(1-amino-1-hydroxyiminopropan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 76948330

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylcyclohexanecarbonyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(4-tert-butylcyclohexanecarbonyl)amino]-3-hydroxybutanoic acid (CID 43238721) is 2-[(4-tert-butylcyclohexanecarbonyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(4-tert-butylcyclohexanecarbonyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(4-tert-butylcyclohexanecarbonyl)amino]-3-hydroxybutanoic acid is CC(O)C(NC(=O)C1CCC(C(C)(C)C)CC1)C(=O)O.
What is the InChIKey of 2-[(4-tert-butylcyclohexanecarbonyl)amino]-3-hydroxybutanoic acid?
The InChIKey is KOKBMIUDUXUADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-9(17)12(14(19)20)16-13(18)10-5-7-11(8-6-10)15(2,3)4/h9-12,17H,5-8H2,1-4H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(4-tert-butylcyclohexanecarbonyl)amino]-3-hydroxybutanoic acid?
2-[(4-tert-butylcyclohexanecarbonyl)amino]-3-hydroxybutanoic acid has a molecular weight of 285.38 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylcyclohexanecarbonyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 43238721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).