2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-methylamino]butanoic acid

C15H28N2O3 — CID 102628725

IUPAC2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C15H28N2O3/c1-6-12(14(19)20)17(5)13(18)10-7-8-11(16)9(2)15(10,3)4/h9-12H,6-8,16H2,1-5H3,(H,19,20)
InChIKeyNRNBSNNDQDSWRJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.71
Rot. Bonds4

About 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-methylamino]butanoic acid

2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-methylamino]butanoic acid (PubChem CID 102628725) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-methylamino]butanoic acid
PubChem CID102628725
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C15H28N2O3/c1-6-12(14(19)20)17(5)13(18)10-7-8-11(16)9(2)15(10,3)4/h9-12H,6-8,16H2,1-5H3,(H,19,20)
InChIKeyNRNBSNNDQDSWRJ-UHFFFAOYSA-N
XLogP1.71
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-ethyl-N,2,2,3-tetramethylcyclohexane-1-carboxamide
CID 102628336
4-amino-N-(1-cyanopropan-2-yl)-N,2,2,3-tetramethylcyclohexane-1-carboxamide
CID 102628819
4-amino-2,2,3-trimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide
CID 102628342
4-amino-N-methoxy-N,2,2,3-tetramethylcyclohexane-1-carboxamide
CID 102628653
4-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 102628514
methyl 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-propylamino]acetate
CID 102628522
2-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid
CID 66235466
2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-prop-2-enylamino]acetic acid
CID 102629017
2-[[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]methyl]-3-methylbutanoic acid
CID 102628950
4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628173
3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 102628994
2-[methyl-[(2R)-piperidine-2-carbonyl]amino]butanoic acid
CID 104913782

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-methylamino]butanoic acid?
The IUPAC name of 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-methylamino]butanoic acid (CID 102628725) is 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-methylamino]butanoic acid.
What is the SMILES notation for 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-methylamino]butanoic acid?
The canonical SMILES for 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-methylamino]butanoic acid is CCC(C(=O)O)N(C)C(=O)C1CCC(N)C(C)C1(C)C.
What is the InChIKey of 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-methylamino]butanoic acid?
The InChIKey is NRNBSNNDQDSWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-6-12(14(19)20)17(5)13(18)10-7-8-11(16)9(2)15(10,3)4/h9-12H,6-8,16H2,1-5H3,(H,19,20).
What are the key properties of 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-methylamino]butanoic acid?
2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-methylamino]butanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-methylamino]butanoic acid is sourced from PubChem (CID 102628725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).