3-amino-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid

C14H26N2O3 — CID 103966570

IUPAC3-amino-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid
SMILESCC1(C)CC(NC(=O)C(N)CC(=O)O)CC(C)(C)C1
InChIInChI=1S/C14H26N2O3/c1-13(2)6-9(7-14(3,4)8-13)16-12(19)10(15)5-11(17)18/h9-10H,5-8,15H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyHPLWMUOZUYNOIE-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.51
Rot. Bonds4

About 3-amino-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid

3-amino-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid (PubChem CID 103966570) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-amino-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid.

Molecular Properties

Compound Name3-amino-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid
PubChem CID103966570
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-amino-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid
SMILESCC1(C)CC(NC(=O)C(N)CC(=O)O)CC(C)(C)C1
InChIInChI=1S/C14H26N2O3/c1-13(2)6-9(7-14(3,4)8-13)16-12(19)10(15)5-11(17)18/h9-10H,5-8,15H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyHPLWMUOZUYNOIE-UHFFFAOYSA-N
XLogP1.51
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 112639937
2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide
CID 112639940
(2S)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide
CID 103951340
(2R)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)propanamide;hydrochloride
CID 120874151
3-oxo-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 103968332
(2S,3S)-2-amino-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 103951343
3-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 103966622
3-amino-4,4-dimethyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 103966637
2,3-dimethyl-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid
CID 103499115
3-hydroxy-2-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid
CID 103968112
3-methyl-2-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide
CID 107034259
3-amino-4-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4-oxobutanoic acid
CID 107222087

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid?
The IUPAC name of 3-amino-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid (CID 103966570) is 3-amino-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid.
What is the SMILES notation for 3-amino-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid?
The canonical SMILES for 3-amino-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid is CC1(C)CC(NC(=O)C(N)CC(=O)O)CC(C)(C)C1.
What is the InChIKey of 3-amino-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid?
The InChIKey is HPLWMUOZUYNOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2)6-9(7-14(3,4)8-13)16-12(19)10(15)5-11(17)18/h9-10H,5-8,15H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 3-amino-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid?
3-amino-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid is sourced from PubChem (CID 103966570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).