2-(4-tert-butylcyclohexyl)-2-[ethyl(formyl)amino]acetic acid

C15H27NO3 — CID 113428532

IUPAC2-(4-tert-butylcyclohexyl)-2-[ethyl(formyl)amino]acetic acid
SMILESCCN(C=O)C(C(=O)O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-5-16(10-17)13(14(18)19)11-6-8-12(9-7-11)15(2,3)4/h10-13H,5-9H2,1-4H3,(H,18,19)
InChIKeyCUHUTPAZXLDIBS-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.77
Rot. Bonds5

About 2-(4-tert-butylcyclohexyl)-2-[ethyl(formyl)amino]acetic acid

2-(4-tert-butylcyclohexyl)-2-[ethyl(formyl)amino]acetic acid (PubChem CID 113428532) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-2-[ethyl(formyl)amino]acetic acid.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-2-[ethyl(formyl)amino]acetic acid
PubChem CID113428532
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-(4-tert-butylcyclohexyl)-2-[ethyl(formyl)amino]acetic acid
SMILESCCN(C=O)C(C(=O)O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-5-16(10-17)13(14(18)19)11-6-8-12(9-7-11)15(2,3)4/h10-13H,5-9H2,1-4H3,(H,18,19)
InChIKeyCUHUTPAZXLDIBS-UHFFFAOYSA-N
XLogP2.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-2-[ethyl(formyl)amino]acetic acid
CID 63689813
2-cyclohex-3-en-1-yl-2-[ethyl(formyl)amino]acetic acid
CID 63689811
2-[ethyl(formyl)amino]-2-(oxan-3-yl)acetic acid
CID 63740599
2-(3,5-dimethylcyclohex-3-en-1-yl)-2-[ethyl(formyl)amino]acetic acid
CID 103277344
2-(4-tert-butylcyclohexyl)-2-(ethylamino)acetic acid
CID 104575539
ethyl 3-(4-tert-butylcyclohexyl)-2-formamido-3-hydroxypropanoate
CID 104576109
(2R,3R)-2,3-bis[(4-tert-butylcyclohexyl)oxy]butanedioic acid
CID 70926789
2-[(4-tert-butylcyclohexyl)-methylamino]butanoic acid
CID 65067690
(3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid
CID 104941123
2-cyclopropyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetic acid
CID 79386599
2-(4-tert-butylcyclohexyl)acetic acid
CID 4150736
2-cyclohexyl-2-[formyl(propan-2-yl)amino]acetic acid
CID 63687750

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)-2-[ethyl(formyl)amino]acetic acid?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-2-[ethyl(formyl)amino]acetic acid (CID 113428532) is 2-(4-tert-butylcyclohexyl)-2-[ethyl(formyl)amino]acetic acid.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-2-[ethyl(formyl)amino]acetic acid?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-2-[ethyl(formyl)amino]acetic acid is CCN(C=O)C(C(=O)O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-2-[ethyl(formyl)amino]acetic acid?
The InChIKey is CUHUTPAZXLDIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-5-16(10-17)13(14(18)19)11-6-8-12(9-7-11)15(2,3)4/h10-13H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 2-(4-tert-butylcyclohexyl)-2-[ethyl(formyl)amino]acetic acid?
2-(4-tert-butylcyclohexyl)-2-[ethyl(formyl)amino]acetic acid has a molecular weight of 269.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)-2-[ethyl(formyl)amino]acetic acid is sourced from PubChem (CID 113428532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).