4-[(4,4-dimethylazepane-1-carbonyl)amino]pentanoic acid

C14H26N2O3 — CID 65282846

IUPAC4-[(4,4-dimethylazepane-1-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)N1CCCC(C)(C)CC1
InChIInChI=1S/C14H26N2O3/c1-11(5-6-12(17)18)15-13(19)16-9-4-7-14(2,3)8-10-16/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyHMMOGYHVWVMPBC-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.46
Rot. Bonds4

About 4-[(4,4-dimethylazepane-1-carbonyl)amino]pentanoic acid

4-[(4,4-dimethylazepane-1-carbonyl)amino]pentanoic acid (PubChem CID 65282846) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-[(4,4-dimethylazepane-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(4,4-dimethylazepane-1-carbonyl)amino]pentanoic acid
PubChem CID65282846
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-[(4,4-dimethylazepane-1-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)N1CCCC(C)(C)CC1
InChIInChI=1S/C14H26N2O3/c1-11(5-6-12(17)18)15-13(19)16-9-4-7-14(2,3)8-10-16/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyHMMOGYHVWVMPBC-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-N-propan-2-ylazepane-1-carboxamide
CID 115660921
4,4-dimethyl-N-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]azepane-1-carboxamide
CID 95934326
5-(piperidine-1-carbonylamino)hexanoic acid
CID 82854268
2-[(4,4-dimethylazepane-1-carbonyl)amino]hexanoic acid
CID 65282412
2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]pentanedioic acid
CID 107405697
2-[(4,4-dimethylazepane-1-carbonyl)amino]-5-methoxypentanoic acid
CID 81086424
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)pentanoic acid
CID 113335954
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]pentanedioic acid
CID 81115043
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-4,4-dimethylazepane-1-carboxamide
CID 71868178
5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid
CID 82848661
5-amino-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 62931188
7-[(4,4-dimethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 62931364

Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-dimethylazepane-1-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-[(4,4-dimethylazepane-1-carbonyl)amino]pentanoic acid (CID 65282846) is 4-[(4,4-dimethylazepane-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(4,4-dimethylazepane-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-[(4,4-dimethylazepane-1-carbonyl)amino]pentanoic acid is CC(CCC(=O)O)NC(=O)N1CCCC(C)(C)CC1.
What is the InChIKey of 4-[(4,4-dimethylazepane-1-carbonyl)amino]pentanoic acid?
The InChIKey is HMMOGYHVWVMPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(5-6-12(17)18)15-13(19)16-9-4-7-14(2,3)8-10-16/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 4-[(4,4-dimethylazepane-1-carbonyl)amino]pentanoic acid?
4-[(4,4-dimethylazepane-1-carbonyl)amino]pentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-dimethylazepane-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 65282846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).