2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]-2-methylbutanoic acid

C14H26N2O4 — CID 107405577

IUPAC2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]-2-methylbutanoic acid
SMILESCCC(C)(CNC(=O)N1CCCC(C)(O)CC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-4-13(2,11(17)18)10-15-12(19)16-8-5-6-14(3,20)7-9-16/h20H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyMMOZGXWVWWNFPQ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.43
Rot. Bonds4

About 2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]-2-methylbutanoic acid

2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]-2-methylbutanoic acid (PubChem CID 107405577) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]-2-methylbutanoic acid
PubChem CID107405577
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]-2-methylbutanoic acid
SMILESCCC(C)(CNC(=O)N1CCCC(C)(O)CC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-4-13(2,11(17)18)10-15-12(19)16-8-5-6-14(3,20)7-9-16/h20H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyMMOZGXWVWWNFPQ-UHFFFAOYSA-N
XLogP1.43
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]-2-methylbutanoic acid with MolForge

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Related Compounds

ethyl 2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetate
CID 107405958
N-butyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404101
2-[[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid
CID 106836780
4-hydroxy-4-methylazepane-1-carbohydrazide
CID 107405919
2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid
CID 107228226
2-(ethylamino)-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one
CID 107404378
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 81116080
2-tert-butylsulfanyl-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406310
(2R)-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107567866
2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107405688
N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404102
1-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 107405645

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]-2-methylbutanoic acid?
The IUPAC name of 2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]-2-methylbutanoic acid (CID 107405577) is 2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]-2-methylbutanoic acid?
The canonical SMILES for 2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]-2-methylbutanoic acid is CCC(C)(CNC(=O)N1CCCC(C)(O)CC1)C(=O)O.
What is the InChIKey of 2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]-2-methylbutanoic acid?
The InChIKey is MMOZGXWVWWNFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-13(2,11(17)18)10-15-12(19)16-8-5-6-14(3,20)7-9-16/h20H,4-10H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]-2-methylbutanoic acid?
2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]-2-methylbutanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]-2-methylbutanoic acid is sourced from PubChem (CID 107405577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).