(2R,3R)-2-ethyl-3-hydroxy-4-[2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoate

C16H29O4- — CID 91972282

IUPAC(2R,3R)-2-ethyl-3-hydroxy-4-[2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoate
SMILESCC[C@H](C)[C@H](CC1CC1C[C@@H](O)[C@@H](CC)C(=O)[O-])OC
InChIInChI=1S/C16H30O4/c1-5-10(3)15(20-4)9-12-7-11(12)8-14(17)13(6-2)16(18)19/h10-15,17H,5-9H2,1-4H3,(H,18,19)/p-1/t10-,11?,12?,13+,14+,15-/m0/s1
InChIKeyVHPWKMVQDALCMV-PTDAVJQHSA-M
MW285.40 g/mol
LogP1.60
Rot. Bonds10

About (2R,3R)-2-ethyl-3-hydroxy-4-[2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoate

(2R,3R)-2-ethyl-3-hydroxy-4-[2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoate (PubChem CID 91972282) has the molecular formula C16H29O4- and a molecular weight of 285.40 g/mol. Its IUPAC name is (2R,3R)-2-ethyl-3-hydroxy-4-[2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoate.

Molecular Properties

Compound Name(2R,3R)-2-ethyl-3-hydroxy-4-[2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoate
PubChem CID91972282
Molecular FormulaC16H29O4-
Molecular Weight285.40 g/mol
Exact Mass285.21
IUPAC Name(2R,3R)-2-ethyl-3-hydroxy-4-[2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoate
SMILESCC[C@H](C)[C@H](CC1CC1C[C@@H](O)[C@@H](CC)C(=O)[O-])OC
InChIInChI=1S/C16H30O4/c1-5-10(3)15(20-4)9-12-7-11(12)8-14(17)13(6-2)16(18)19/h10-15,17H,5-9H2,1-4H3,(H,18,19)/p-1/t10-,11?,12?,13+,14+,15-/m0/s1
InChIKeyVHPWKMVQDALCMV-PTDAVJQHSA-M
XLogP1.60
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-ethyl-3-hydroxy-4-[2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoate?
The IUPAC name of (2R,3R)-2-ethyl-3-hydroxy-4-[2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoate (CID 91972282) is (2R,3R)-2-ethyl-3-hydroxy-4-[2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoate.
What is the SMILES notation for (2R,3R)-2-ethyl-3-hydroxy-4-[2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoate?
The canonical SMILES for (2R,3R)-2-ethyl-3-hydroxy-4-[2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoate is CC[C@H](C)[C@H](CC1CC1C[C@@H](O)[C@@H](CC)C(=O)[O-])OC.
What is the InChIKey of (2R,3R)-2-ethyl-3-hydroxy-4-[2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoate?
The InChIKey is VHPWKMVQDALCMV-PTDAVJQHSA-M. The full InChI is InChI=1S/C16H30O4/c1-5-10(3)15(20-4)9-12-7-11(12)8-14(17)13(6-2)16(18)19/h10-15,17H,5-9H2,1-4H3,(H,18,19)/p-1/t10-,11?,12?,13+,14+,15-/m0/s1.
What are the key properties of (2R,3R)-2-ethyl-3-hydroxy-4-[2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoate?
(2R,3R)-2-ethyl-3-hydroxy-4-[2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoate has a molecular weight of 285.40 g/mol, XLogP of 1.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-ethyl-3-hydroxy-4-[2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoate is sourced from PubChem (CID 91972282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).