ethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate

C11H21NO4 — CID 103251512

IUPACethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CNCC(O)C1CC1
InChIInChI=1S/C11H21NO4/c1-2-16-11(15)5-9(13)6-12-7-10(14)8-3-4-8/h8-10,12-14H,2-7H2,1H3
InChIKeyBXCMAWNUPGNNCI-UHFFFAOYSA-N
MW231.29 g/mol
LogP-0.34
Rot. Bonds8

About ethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate

ethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate (PubChem CID 103251512) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate
PubChem CID103251512
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nameethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CNCC(O)C1CC1
InChIInChI=1S/C11H21NO4/c1-2-16-11(15)5-9(13)6-12-7-10(14)8-3-4-8/h8-10,12-14H,2-7H2,1H3
InChIKeyBXCMAWNUPGNNCI-UHFFFAOYSA-N
XLogP-0.34
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(1-ethylpiperidin-4-yl)methylamino]-3-hydroxybutanoate
CID 103245845
ethyl 3-hydroxy-4-(2-methylsulfanylpropylamino)butanoate
CID 103265433
ethyl 4-(1-cyclopropylpropan-2-ylamino)-3-hydroxybutanoate
CID 103251140
ethyl 4-(1-cyclobutylethylamino)-3-hydroxybutanoate
CID 103268251
ethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate
CID 103235295
ethyl 3-hydroxy-4-(2-methylsulfinylpropylamino)butanoate
CID 103265700
1-cyclopropyl-2-(2,2-diethoxyethylamino)ethanol
CID 81094787
ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 103240342
ethyl 2-[(2-cyclopropyl-2-hydroxyethyl)amino]butanoate
CID 64668765
ethyl 3-hydroxy-4-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 103253206
ethyl 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoate
CID 12535231
ethyl 3-hydroxy-4-[(3-hydroxycyclobutyl)amino]butanoate
CID 103255881

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate?
The IUPAC name of ethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate (CID 103251512) is ethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate.
What is the SMILES notation for ethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate?
The canonical SMILES for ethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate is CCOC(=O)CC(O)CNCC(O)C1CC1.
What is the InChIKey of ethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate?
The InChIKey is BXCMAWNUPGNNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-2-16-11(15)5-9(13)6-12-7-10(14)8-3-4-8/h8-10,12-14H,2-7H2,1H3.
What are the key properties of ethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate?
ethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate has a molecular weight of 231.29 g/mol, XLogP of -0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate is sourced from PubChem (CID 103251512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).