2-[azocane-1-carbonyl(tert-butyl)amino]acetic acid

C14H26N2O3 — CID 79256503

IUPAC2-[azocane-1-carbonyl(tert-butyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)N1CCCCCCC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)16(11-12(17)18)13(19)15-9-7-5-4-6-8-10-15/h4-11H2,1-3H3,(H,17,18)
InChIKeyYPLJRUKQBYHDPB-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.56
Rot. Bonds2

About 2-[azocane-1-carbonyl(tert-butyl)amino]acetic acid

2-[azocane-1-carbonyl(tert-butyl)amino]acetic acid (PubChem CID 79256503) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[azocane-1-carbonyl(tert-butyl)amino]acetic acid.

Molecular Properties

Compound Name2-[azocane-1-carbonyl(tert-butyl)amino]acetic acid
PubChem CID79256503
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[azocane-1-carbonyl(tert-butyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)N1CCCCCCC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)16(11-12(17)18)13(19)15-9-7-5-4-6-8-10-15/h4-11H2,1-3H3,(H,17,18)
InChIKeyYPLJRUKQBYHDPB-UHFFFAOYSA-N
XLogP2.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[tert-butyl-(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid
CID 79256496
2-[tert-butyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]acetic acid
CID 103500285
3-[tert-butyl(pyrrolidine-1-carbonyl)amino]propanoic acid
CID 61186565
2-[(3-aminopiperidine-1-carbonyl)-tert-butylamino]acetic acid
CID 79257422
2-[tert-butyl-[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]acetic acid
CID 79257419
2-[tert-butyl-(3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid
CID 79256938
2-[(1-acetylpiperidine-3-carbonyl)-tert-butylamino]acetic acid
CID 79265924
2-[tert-butyl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 79256836
2-[cyclopropyl(piperidine-1-carbonyl)amino]acetic acid
CID 61183378
N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylacetamide
CID 113166142
2-[(1-acetylpiperidine-4-carbonyl)-tert-butylamino]acetic acid
CID 79266328
2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid
CID 61187489

Frequently Asked Questions

What is the IUPAC name of 2-[azocane-1-carbonyl(tert-butyl)amino]acetic acid?
The IUPAC name of 2-[azocane-1-carbonyl(tert-butyl)amino]acetic acid (CID 79256503) is 2-[azocane-1-carbonyl(tert-butyl)amino]acetic acid.
What is the SMILES notation for 2-[azocane-1-carbonyl(tert-butyl)amino]acetic acid?
The canonical SMILES for 2-[azocane-1-carbonyl(tert-butyl)amino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)N1CCCCCCC1.
What is the InChIKey of 2-[azocane-1-carbonyl(tert-butyl)amino]acetic acid?
The InChIKey is YPLJRUKQBYHDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)16(11-12(17)18)13(19)15-9-7-5-4-6-8-10-15/h4-11H2,1-3H3,(H,17,18).
What are the key properties of 2-[azocane-1-carbonyl(tert-butyl)amino]acetic acid?
2-[azocane-1-carbonyl(tert-butyl)amino]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azocane-1-carbonyl(tert-butyl)amino]acetic acid is sourced from PubChem (CID 79256503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).