2-[1,4-oxazepane-4-carbonyl(propyl)amino]acetic acid

C11H20N2O4 — CID 62967639

IUPAC2-[1,4-oxazepane-4-carbonyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N1CCCOCC1
InChIInChI=1S/C11H20N2O4/c1-2-4-13(9-10(14)15)11(16)12-5-3-7-17-8-6-12/h2-9H2,1H3,(H,14,15)
InChIKeyKHSBNOPKFCEBPM-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.63
Rot. Bonds4

About 2-[1,4-oxazepane-4-carbonyl(propyl)amino]acetic acid

2-[1,4-oxazepane-4-carbonyl(propyl)amino]acetic acid (PubChem CID 62967639) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[1,4-oxazepane-4-carbonyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,4-oxazepane-4-carbonyl(propyl)amino]acetic acid
PubChem CID62967639
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[1,4-oxazepane-4-carbonyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N1CCCOCC1
InChIInChI=1S/C11H20N2O4/c1-2-4-13(9-10(14)15)11(16)12-5-3-7-17-8-6-12/h2-9H2,1H3,(H,14,15)
InChIKeyKHSBNOPKFCEBPM-UHFFFAOYSA-N
XLogP0.63
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid
CID 61203406
2-[(4-ethylpiperazine-1-carbonyl)-propylamino]acetic acid
CID 61191959
2-[(2-amino-2-oxoethyl)-(morpholine-4-carbonyl)amino]acetic acid
CID 107435191
2-[(4,4-diethylpiperidine-1-carbonyl)-propylamino]acetic acid
CID 63161983
2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid
CID 61187489
N-butyl-N-[2-[butyl(morpholine-4-carbonyl)amino]ethyl]morpholine-4-carboxamide
CID 3091
2-[morpholine-4-carbonyl(prop-2-enyl)amino]acetic acid
CID 79262594
2-[(3-hydroxypyrrolidine-1-carbonyl)-propylamino]acetic acid
CID 62944013
2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 75383592
2-[ethyl(1,4-oxazepane-4-carbonyl)amino]-2-methylpropanoic acid
CID 62967290
2-[(3,4-dimethoxypyrrolidine-1-carbonyl)-propylamino]acetic acid
CID 103536356
2-[4-hydroxy-N-(1,4-oxazepane-4-carbonyl)anilino]acetic acid
CID 62969219

Frequently Asked Questions

What is the IUPAC name of 2-[1,4-oxazepane-4-carbonyl(propyl)amino]acetic acid?
The IUPAC name of 2-[1,4-oxazepane-4-carbonyl(propyl)amino]acetic acid (CID 62967639) is 2-[1,4-oxazepane-4-carbonyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[1,4-oxazepane-4-carbonyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[1,4-oxazepane-4-carbonyl(propyl)amino]acetic acid is CCCN(CC(=O)O)C(=O)N1CCCOCC1.
What is the InChIKey of 2-[1,4-oxazepane-4-carbonyl(propyl)amino]acetic acid?
The InChIKey is KHSBNOPKFCEBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-4-13(9-10(14)15)11(16)12-5-3-7-17-8-6-12/h2-9H2,1H3,(H,14,15).
What are the key properties of 2-[1,4-oxazepane-4-carbonyl(propyl)amino]acetic acid?
2-[1,4-oxazepane-4-carbonyl(propyl)amino]acetic acid has a molecular weight of 244.29 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,4-oxazepane-4-carbonyl(propyl)amino]acetic acid is sourced from PubChem (CID 62967639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).