2-[(2S)-4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]morpholin-2-yl]acetic acid

C12H19NO5 — CID 125119114

IUPAC2-[(2S)-4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]morpholin-2-yl]acetic acid
SMILESCCO[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](CC(=O)O)C1
InChIInChI=1S/C12H19NO5/c1-2-17-10-6-9(10)12(16)13-3-4-18-8(7-13)5-11(14)15/h8-10H,2-7H2,1H3,(H,14,15)/t8-,9-,10+/m0/s1
InChIKeyACJNJZMCDNXLML-LPEHRKFASA-N
MW257.29 g/mol
LogP0.11
Rot. Bonds5

About 2-[(2S)-4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]morpholin-2-yl]acetic acid

2-[(2S)-4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]morpholin-2-yl]acetic acid (PubChem CID 125119114) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[(2S)-4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]morpholin-2-yl]acetic acid
PubChem CID125119114
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name2-[(2S)-4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]morpholin-2-yl]acetic acid
SMILESCCO[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](CC(=O)O)C1
InChIInChI=1S/C12H19NO5/c1-2-17-10-6-9(10)12(16)13-3-4-18-8(7-13)5-11(14)15/h8-10H,2-7H2,1H3,(H,14,15)/t8-,9-,10+/m0/s1
InChIKeyACJNJZMCDNXLML-LPEHRKFASA-N
XLogP0.11
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]morpholin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-ethoxycyclopropanecarbonyl)morpholine-2-carboxylic acid
CID 119239172
2-[4-(2-cyclohexylcyclopropanecarbonyl)morpholin-2-yl]acetic acid
CID 119248477
2-[4-(3-methyloxane-4-carbonyl)morpholin-2-yl]acetic acid
CID 114240971
methyl 2-[4-(2-methylcyclopropanecarbonyl)morpholin-2-yl]acetate
CID 79806979
2-[4-(3,4-dimethoxypyrrolidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 103536464
2-[(2S)-4-[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 125150604
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-[4-(1-methylpyrrolidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66420578
2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66434765
2-[(2S)-4-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 124699395
2-[(2S)-4-[(1S,2R)-2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 124698180
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]morpholin-2-yl]acetic acid (CID 125119114) is 2-[(2S)-4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]morpholin-2-yl]acetic acid is CCO[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](CC(=O)O)C1.
What is the InChIKey of 2-[(2S)-4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]morpholin-2-yl]acetic acid?
The InChIKey is ACJNJZMCDNXLML-LPEHRKFASA-N. The full InChI is InChI=1S/C12H19NO5/c1-2-17-10-6-9(10)12(16)13-3-4-18-8(7-13)5-11(14)15/h8-10H,2-7H2,1H3,(H,14,15)/t8-,9-,10+/m0/s1.
What are the key properties of 2-[(2S)-4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]morpholin-2-yl]acetic acid?
2-[(2S)-4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]morpholin-2-yl]acetic acid has a molecular weight of 257.29 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 125119114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).