2-(4-tert-butylcyclohexyl)-2-(ethylamino)acetic acid

C14H27NO2 — CID 104575539

IUPAC2-(4-tert-butylcyclohexyl)-2-(ethylamino)acetic acid
SMILESCCNC(C(=O)O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-5-15-12(13(16)17)10-6-8-11(9-7-10)14(2,3)4/h10-12,15H,5-9H2,1-4H3,(H,16,17)
InChIKeyRFZXZFCKOLKKPW-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.90
Rot. Bonds4

About 2-(4-tert-butylcyclohexyl)-2-(ethylamino)acetic acid

2-(4-tert-butylcyclohexyl)-2-(ethylamino)acetic acid (PubChem CID 104575539) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-2-(ethylamino)acetic acid.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-2-(ethylamino)acetic acid
PubChem CID104575539
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-(4-tert-butylcyclohexyl)-2-(ethylamino)acetic acid
SMILESCCNC(C(=O)O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-5-15-12(13(16)17)10-6-8-11(9-7-10)14(2,3)4/h10-12,15H,5-9H2,1-4H3,(H,16,17)
InChIKeyRFZXZFCKOLKKPW-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butylamino)-2-cyclopropylacetic acid
CID 62696417
2-(ethylamino)-2-(thiolan-3-yl)acetic acid
CID 107132983
2-[[3-(tert-butylamino)-3-oxopropyl]amino]-2-cyclopropylacetic acid
CID 103263129
2-cyclopropyl-2-[(2-methoxy-2-methylpropyl)amino]acetic acid
CID 103266053
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetic acid
CID 106278391
2-(4-tert-butylcyclohexyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 104575511
2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid
CID 114473160
2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid
CID 103240366
2-cyclopropyl-2-[2-(dimethylamino)propylamino]acetic acid
CID 103245185
2-cyclopropyl-2-(3-propoxypropylamino)acetic acid
CID 103260755
2-cyclopropyl-2-(2,3-dimethylbutylamino)acetic acid
CID 103254407
2-cyclopropyl-2-(4-hydroxybutylamino)acetic acid
CID 62697319

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)-2-(ethylamino)acetic acid?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-2-(ethylamino)acetic acid (CID 104575539) is 2-(4-tert-butylcyclohexyl)-2-(ethylamino)acetic acid.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-2-(ethylamino)acetic acid?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-2-(ethylamino)acetic acid is CCNC(C(=O)O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-2-(ethylamino)acetic acid?
The InChIKey is RFZXZFCKOLKKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-15-12(13(16)17)10-6-8-11(9-7-10)14(2,3)4/h10-12,15H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-(4-tert-butylcyclohexyl)-2-(ethylamino)acetic acid?
2-(4-tert-butylcyclohexyl)-2-(ethylamino)acetic acid has a molecular weight of 241.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)-2-(ethylamino)acetic acid is sourced from PubChem (CID 104575539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).