2-[4-(ethylamino)oxepan-4-yl]acetic acid

C10H19NO3 — CID 65234090

IUPAC2-[4-(ethylamino)oxepan-4-yl]acetic acid
SMILESCCNC1(CC(=O)O)CCCOCC1
InChIInChI=1S/C10H19NO3/c1-2-11-10(8-9(12)13)4-3-6-14-7-5-10/h11H,2-8H2,1H3,(H,12,13)
InChIKeyFZFALUAMZXDZCR-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.01
Rot. Bonds4

About 2-[4-(ethylamino)oxepan-4-yl]acetic acid

2-[4-(ethylamino)oxepan-4-yl]acetic acid (PubChem CID 65234090) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[4-(ethylamino)oxepan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(ethylamino)oxepan-4-yl]acetic acid
PubChem CID65234090
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[4-(ethylamino)oxepan-4-yl]acetic acid
SMILESCCNC1(CC(=O)O)CCCOCC1
InChIInChI=1S/C10H19NO3/c1-2-11-10(8-9(12)13)4-3-6-14-7-5-10/h11H,2-8H2,1H3,(H,12,13)
InChIKeyFZFALUAMZXDZCR-UHFFFAOYSA-N
XLogP1.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyoxepan-4-yl)acetic acid
CID 65081306
ethyl 2-[4-(methylamino)oxepan-4-yl]acetate
CID 65236733
2-[3-[2-(oxan-4-ylidene)ethylamino]oxan-3-yl]acetic acid
CID 167753809
2-[4-(3-methylhexanoylamino)oxan-4-yl]acetic acid
CID 119215184
2-[4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]oxan-4-yl]acetic acid
CID 119214688
2-(3-ethoxyoxan-3-yl)acetic acid
CID 105443019
2-[4-[3-(4-ethylphenyl)propanoylamino]oxan-4-yl]acetic acid
CID 119215227
2-[4-[(4-ethylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119215520
[4-[2-(diethylamino)ethylamino]oxepan-4-yl]methanol
CID 65080769
2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846518
2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid
CID 119214727
oxolane;propanoic acid
CID 162183532

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)oxepan-4-yl]acetic acid?
The IUPAC name of 2-[4-(ethylamino)oxepan-4-yl]acetic acid (CID 65234090) is 2-[4-(ethylamino)oxepan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-(ethylamino)oxepan-4-yl]acetic acid?
The canonical SMILES for 2-[4-(ethylamino)oxepan-4-yl]acetic acid is CCNC1(CC(=O)O)CCCOCC1.
What is the InChIKey of 2-[4-(ethylamino)oxepan-4-yl]acetic acid?
The InChIKey is FZFALUAMZXDZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-11-10(8-9(12)13)4-3-6-14-7-5-10/h11H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-[4-(ethylamino)oxepan-4-yl]acetic acid?
2-[4-(ethylamino)oxepan-4-yl]acetic acid has a molecular weight of 201.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)oxepan-4-yl]acetic acid is sourced from PubChem (CID 65234090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).