2,2,3-trimethyl-3-[(2-methylazepane-1-carbonyl)amino]butanoic acid

C15H28N2O3 — CID 65265276

IUPAC2,2,3-trimethyl-3-[(2-methylazepane-1-carbonyl)amino]butanoic acid
SMILESCC1CCCCCN1C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-11-9-7-6-8-10-17(11)13(20)16-15(4,5)14(2,3)12(18)19/h11H,6-10H2,1-5H3,(H,16,20)(H,18,19)
InChIKeyYNEOGEKWOBHHJS-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.85
Rot. Bonds3

About 2,2,3-trimethyl-3-[(2-methylazepane-1-carbonyl)amino]butanoic acid

2,2,3-trimethyl-3-[(2-methylazepane-1-carbonyl)amino]butanoic acid (PubChem CID 65265276) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[(2-methylazepane-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[(2-methylazepane-1-carbonyl)amino]butanoic acid
PubChem CID65265276
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2,2,3-trimethyl-3-[(2-methylazepane-1-carbonyl)amino]butanoic acid
SMILESCC1CCCCCN1C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-11-9-7-6-8-10-17(11)13(20)16-15(4,5)14(2,3)12(18)19/h11H,6-10H2,1-5H3,(H,16,20)(H,18,19)
InChIKeyYNEOGEKWOBHHJS-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3-trimethyl-3-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 65266023
2-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61266922
3-[(2-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65263596
2-methyl-2-[(2-methylazepane-1-carbonyl)amino]butanoic acid
CID 79801930
(2S)-3,3-dimethyl-2-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 61188083
N-cyclohexyl-2-methylpiperidine-1-carboxamide;ethane
CID 142002534
2-[(2-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64816386
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonylamino)-2,2,3-trimethylbutanoic acid
CID 65263657
3-[(4-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65266358
N-[2-(4-fluorophenyl)propan-2-yl]-2-methylpiperidine-1-carboxamide
CID 110490552
N-(cyclohexylmethyl)-2-methylpiperidine-1-carboxamide
CID 108902901
3-[[cycloheptyl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266389

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[(2-methylazepane-1-carbonyl)amino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[(2-methylazepane-1-carbonyl)amino]butanoic acid (CID 65265276) is 2,2,3-trimethyl-3-[(2-methylazepane-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[(2-methylazepane-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[(2-methylazepane-1-carbonyl)amino]butanoic acid is CC1CCCCCN1C(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[(2-methylazepane-1-carbonyl)amino]butanoic acid?
The InChIKey is YNEOGEKWOBHHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11-9-7-6-8-10-17(11)13(20)16-15(4,5)14(2,3)12(18)19/h11H,6-10H2,1-5H3,(H,16,20)(H,18,19).
What are the key properties of 2,2,3-trimethyl-3-[(2-methylazepane-1-carbonyl)amino]butanoic acid?
2,2,3-trimethyl-3-[(2-methylazepane-1-carbonyl)amino]butanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[(2-methylazepane-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 65265276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).