ethyl 3-hydroxy-4-[(2-propan-2-ylcyclohexyl)amino]butanoate

C15H29NO3 — CID 103261980

IUPACethyl 3-hydroxy-4-[(2-propan-2-ylcyclohexyl)amino]butanoate
SMILESCCOC(=O)CC(O)CNC1CCCCC1C(C)C
InChIInChI=1S/C15H29NO3/c1-4-19-15(18)9-12(17)10-16-14-8-6-5-7-13(14)11(2)3/h11-14,16-17H,4-10H2,1-3H3
InChIKeyXYFRQYCXTMLXAC-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.10
Rot. Bonds7

About ethyl 3-hydroxy-4-[(2-propan-2-ylcyclohexyl)amino]butanoate

ethyl 3-hydroxy-4-[(2-propan-2-ylcyclohexyl)amino]butanoate (PubChem CID 103261980) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-[(2-propan-2-ylcyclohexyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-[(2-propan-2-ylcyclohexyl)amino]butanoate
PubChem CID103261980
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nameethyl 3-hydroxy-4-[(2-propan-2-ylcyclohexyl)amino]butanoate
SMILESCCOC(=O)CC(O)CNC1CCCCC1C(C)C
InChIInChI=1S/C15H29NO3/c1-4-19-15(18)9-12(17)10-16-14-8-6-5-7-13(14)11(2)3/h11-14,16-17H,4-10H2,1-3H3
InChIKeyXYFRQYCXTMLXAC-UHFFFAOYSA-N
XLogP2.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-hydroxy-4-[(3-hydroxycyclobutyl)amino]butanoate
CID 103255881
ethyl 2-(2-propan-2-ylcyclohexyl)acetate
CID 58689217
N-(2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 81301790
ethyl 4-(1-cyclobutylethylamino)-3-hydroxybutanoate
CID 103268251
1-[(2-propan-2-ylcyclohexyl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81328585
2-[(2-propan-2-ylcyclohexyl)amino]ethyl carbamate
CID 83211755
ethyl 4-(1-cyclopropylpropan-2-ylamino)-3-hydroxybutanoate
CID 103251140
ethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate
CID 103248566
ethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate
CID 103251512
N-(3-methoxy-2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 81334166
5-[(2-propan-2-ylcyclohexyl)amino]pentanoic acid
CID 103261984
N-(cyclopropylmethyl)-2-propan-2-ylcyclohexan-1-amine
CID 78927307

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-[(2-propan-2-ylcyclohexyl)amino]butanoate?
The IUPAC name of ethyl 3-hydroxy-4-[(2-propan-2-ylcyclohexyl)amino]butanoate (CID 103261980) is ethyl 3-hydroxy-4-[(2-propan-2-ylcyclohexyl)amino]butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-[(2-propan-2-ylcyclohexyl)amino]butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-[(2-propan-2-ylcyclohexyl)amino]butanoate is CCOC(=O)CC(O)CNC1CCCCC1C(C)C.
What is the InChIKey of ethyl 3-hydroxy-4-[(2-propan-2-ylcyclohexyl)amino]butanoate?
The InChIKey is XYFRQYCXTMLXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-19-15(18)9-12(17)10-16-14-8-6-5-7-13(14)11(2)3/h11-14,16-17H,4-10H2,1-3H3.
What are the key properties of ethyl 3-hydroxy-4-[(2-propan-2-ylcyclohexyl)amino]butanoate?
ethyl 3-hydroxy-4-[(2-propan-2-ylcyclohexyl)amino]butanoate has a molecular weight of 271.40 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-[(2-propan-2-ylcyclohexyl)amino]butanoate is sourced from PubChem (CID 103261980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).