4-[cyclopropyl(2-methoxyethyl)amino]-3-hydroxybutanoic acid

C10H19NO4 — CID 82770599

IUPAC4-[cyclopropyl(2-methoxyethyl)amino]-3-hydroxybutanoic acid
SMILESCOCCN(CC(O)CC(=O)O)C1CC1
InChIInChI=1S/C10H19NO4/c1-15-5-4-11(8-2-3-8)7-9(12)6-10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyMKQOAEQONZWFRQ-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.07
Rot. Bonds8

About 4-[cyclopropyl(2-methoxyethyl)amino]-3-hydroxybutanoic acid

4-[cyclopropyl(2-methoxyethyl)amino]-3-hydroxybutanoic acid (PubChem CID 82770599) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-[cyclopropyl(2-methoxyethyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(2-methoxyethyl)amino]-3-hydroxybutanoic acid
PubChem CID82770599
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4-[cyclopropyl(2-methoxyethyl)amino]-3-hydroxybutanoic acid
SMILESCOCCN(CC(O)CC(=O)O)C1CC1
InChIInChI=1S/C10H19NO4/c1-15-5-4-11(8-2-3-8)7-9(12)6-10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyMKQOAEQONZWFRQ-UHFFFAOYSA-N
XLogP-0.07
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(2-methoxyethyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 4-[cyclopropyl(2-methoxyethyl)amino]-3-hydroxybutanoic acid (CID 82770599) is 4-[cyclopropyl(2-methoxyethyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 4-[cyclopropyl(2-methoxyethyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 4-[cyclopropyl(2-methoxyethyl)amino]-3-hydroxybutanoic acid is COCCN(CC(O)CC(=O)O)C1CC1.
What is the InChIKey of 4-[cyclopropyl(2-methoxyethyl)amino]-3-hydroxybutanoic acid?
The InChIKey is MKQOAEQONZWFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-15-5-4-11(8-2-3-8)7-9(12)6-10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 4-[cyclopropyl(2-methoxyethyl)amino]-3-hydroxybutanoic acid?
4-[cyclopropyl(2-methoxyethyl)amino]-3-hydroxybutanoic acid has a molecular weight of 217.26 g/mol, XLogP of -0.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(2-methoxyethyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 82770599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).