ethyl 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoate

C10H19NO3 — CID 103263974

IUPACethyl 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoate
SMILESCCOC(=O)CC(O)CNC1(C)CC1
InChIInChI=1S/C10H19NO3/c1-3-14-9(13)6-8(12)7-11-10(2)4-5-10/h8,11-12H,3-7H2,1-2H3
InChIKeyCKYZGTDCASDAES-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.44
Rot. Bonds6

About ethyl 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoate

ethyl 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoate (PubChem CID 103263974) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoate
PubChem CID103263974
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoate
SMILESCCOC(=O)CC(O)CNC1(C)CC1
InChIInChI=1S/C10H19NO3/c1-3-14-9(13)6-8(12)7-11-10(2)4-5-10/h8,11-12H,3-7H2,1-2H3
InChIKeyCKYZGTDCASDAES-UHFFFAOYSA-N
XLogP0.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoic acid
CID 103264023
ethyl 3-hydroxy-4-[[4-(hydroxymethyl)oxan-4-yl]amino]butanoate
CID 106300343
ethyl 3-hydroxy-4-(2-methylpropoxyamino)butanoate
CID 103261561
ethyl 3-hydroxy-4-(2-methoxyethoxyamino)butanoate
CID 103261675
ethyl 3-hydroxy-4-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 103253206
ethyl 3-hydroxy-4-(2,3,4,5,6-pentafluoroanilino)butanoate
CID 103260878
ethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate
CID 103235295
ethyl 3-hydroxy-4-[(3-hydroxycyclobutyl)amino]butanoate
CID 103255881
ethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate
CID 103251512
ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 103240342
ethyl 4-(1-cyclopropylpropan-2-ylamino)-3-hydroxybutanoate
CID 103251140
ethyl 4-(1-cyclobutylethylamino)-3-hydroxybutanoate
CID 103268251

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoate?
The IUPAC name of ethyl 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoate (CID 103263974) is ethyl 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoate is CCOC(=O)CC(O)CNC1(C)CC1.
What is the InChIKey of ethyl 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoate?
The InChIKey is CKYZGTDCASDAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-14-9(13)6-8(12)7-11-10(2)4-5-10/h8,11-12H,3-7H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoate?
ethyl 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoate has a molecular weight of 201.27 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoate is sourced from PubChem (CID 103263974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).