2-(1,4-dioxepan-6-ylamino)acetic acid

C7H13NO4 — CID 130559487

IUPAC2-(1,4-dioxepan-6-ylamino)acetic acid
SMILESO=C(O)CNC1COCCOC1
InChIInChI=1S/C7H13NO4/c9-7(10)3-8-6-4-11-1-2-12-5-6/h6,8H,1-5H2,(H,9,10)
InChIKeyCBZVEMKVXHTDET-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.92
Rot. Bonds3

About 2-(1,4-dioxepan-6-ylamino)acetic acid

2-(1,4-dioxepan-6-ylamino)acetic acid (PubChem CID 130559487) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-(1,4-dioxepan-6-ylamino)acetic acid.

Molecular Properties

Compound Name2-(1,4-dioxepan-6-ylamino)acetic acid
PubChem CID130559487
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2-(1,4-dioxepan-6-ylamino)acetic acid
SMILESO=C(O)CNC1COCCOC1
InChIInChI=1S/C7H13NO4/c9-7(10)3-8-6-4-11-1-2-12-5-6/h6,8H,1-5H2,(H,9,10)
InChIKeyCBZVEMKVXHTDET-UHFFFAOYSA-N
XLogP-0.92
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)acetic acid
CID 21197388
3-(oxan-3-ylamino)propanoic acid
CID 63363556
2-[(4-hydroxy-4-methyloxan-3-yl)amino]acetic acid
CID 3799385
2-(thian-4-ylamino)acetic acid
CID 43511382
N-ethyloxetan-3-amine;oxalic acid
CID 118996693
sodium;2-(cyclohexylamino)acetic acid;hydroxide
CID 164959041
methanethiol;methyl 2-(oxolan-3-ylamino)acetate
CID 156892009
methyl 2-(oxan-3-ylamino)acetate
CID 63364006
N-cycloheptyl-2-(oxolan-3-ylamino)acetamide
CID 80714047
3-chloro-N-(1,4-dioxepan-6-yl)propanamide
CID 130658722
methyl N-(1,4-dioxepan-6-yl)carbamate
CID 130643891
2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetic acid
CID 65470865

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxepan-6-ylamino)acetic acid?
The IUPAC name of 2-(1,4-dioxepan-6-ylamino)acetic acid (CID 130559487) is 2-(1,4-dioxepan-6-ylamino)acetic acid.
What is the SMILES notation for 2-(1,4-dioxepan-6-ylamino)acetic acid?
The canonical SMILES for 2-(1,4-dioxepan-6-ylamino)acetic acid is O=C(O)CNC1COCCOC1.
What is the InChIKey of 2-(1,4-dioxepan-6-ylamino)acetic acid?
The InChIKey is CBZVEMKVXHTDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c9-7(10)3-8-6-4-11-1-2-12-5-6/h6,8H,1-5H2,(H,9,10).
What are the key properties of 2-(1,4-dioxepan-6-ylamino)acetic acid?
2-(1,4-dioxepan-6-ylamino)acetic acid has a molecular weight of 175.18 g/mol, XLogP of -0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxepan-6-ylamino)acetic acid is sourced from PubChem (CID 130559487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).