2-[4-(5-oxo-1,4-diazepane-1-carbonyl)morpholin-2-yl]acetic acid

C12H19N3O5 — CID 66434305

IUPAC2-[4-(5-oxo-1,4-diazepane-1-carbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)N2CCNC(=O)CC2)CCO1
InChIInChI=1S/C12H19N3O5/c16-10-1-3-14(4-2-13-10)12(19)15-5-6-20-9(8-15)7-11(17)18/h9H,1-8H2,(H,13,16)(H,17,18)
InChIKeyAWEOBIDECMNJNL-UHFFFAOYSA-N
MW285.30 g/mol
LogP-0.90
Rot. Bonds2

About 2-[4-(5-oxo-1,4-diazepane-1-carbonyl)morpholin-2-yl]acetic acid

2-[4-(5-oxo-1,4-diazepane-1-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 66434305) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[4-(5-oxo-1,4-diazepane-1-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-oxo-1,4-diazepane-1-carbonyl)morpholin-2-yl]acetic acid
PubChem CID66434305
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Name2-[4-(5-oxo-1,4-diazepane-1-carbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)N2CCNC(=O)CC2)CCO1
InChIInChI=1S/C12H19N3O5/c16-10-1-3-14(4-2-13-10)12(19)15-5-6-20-9(8-15)7-11(17)18/h9H,1-8H2,(H,13,16)(H,17,18)
InChIKeyAWEOBIDECMNJNL-UHFFFAOYSA-N
XLogP-0.90
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-hydroxypiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66433665
2-[4-(4-methylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66435209
2-[4-(4-carbamoylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66434819
1-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-5-one
CID 62045065
2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 103536464
2-[4-(5-oxo-1,4-diazepane-1-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66445369
2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66434691
2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248813
2-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66434843
2-[4-(3,3,4-trimethylpiperazine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66433532
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375
2-(4-prop-2-enoylmorpholin-2-yl)acetic acid
CID 66419978

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-oxo-1,4-diazepane-1-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(5-oxo-1,4-diazepane-1-carbonyl)morpholin-2-yl]acetic acid (CID 66434305) is 2-[4-(5-oxo-1,4-diazepane-1-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(5-oxo-1,4-diazepane-1-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(5-oxo-1,4-diazepane-1-carbonyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)N2CCNC(=O)CC2)CCO1.
What is the InChIKey of 2-[4-(5-oxo-1,4-diazepane-1-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is AWEOBIDECMNJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c16-10-1-3-14(4-2-13-10)12(19)15-5-6-20-9(8-15)7-11(17)18/h9H,1-8H2,(H,13,16)(H,17,18).
What are the key properties of 2-[4-(5-oxo-1,4-diazepane-1-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(5-oxo-1,4-diazepane-1-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 285.30 g/mol, XLogP of -0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-oxo-1,4-diazepane-1-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66434305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).