methyl 3-[(1R,2R)-2-butylcyclopropyl]propanoate

C11H20O2 — CID 13203150

IUPACmethyl 3-[(1R,2R)-2-butylcyclopropyl]propanoate
SMILESCCCC[C@@H]1C[C@H]1CCC(=O)OC
InChIInChI=1S/C11H20O2/c1-3-4-5-9-8-10(9)6-7-11(12)13-2/h9-10H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyQTGFDJZXMAVHCB-NXEZZACHSA-N
MW184.28 g/mol
LogP2.77
Rot. Bonds6

About methyl 3-[(1R,2R)-2-butylcyclopropyl]propanoate

methyl 3-[(1R,2R)-2-butylcyclopropyl]propanoate (PubChem CID 13203150) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is methyl 3-[(1R,2R)-2-butylcyclopropyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(1R,2R)-2-butylcyclopropyl]propanoate
PubChem CID13203150
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namemethyl 3-[(1R,2R)-2-butylcyclopropyl]propanoate
SMILESCCCC[C@@H]1C[C@H]1CCC(=O)OC
InChIInChI=1S/C11H20O2/c1-3-4-5-9-8-10(9)6-7-11(12)13-2/h9-10H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyQTGFDJZXMAVHCB-NXEZZACHSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-(2-undecylcyclopropyl)pentanoate
CID 534438
methyl 11-(2-propylcyclopropyl)undecanoate
CID 11414874
methyl 3-[2-[[2-[[2-[[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]propanoate;9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one
CID 161261733
methyl 9-[(1R,2R)-2-butylcyclopentyl]nonanoate
CID 14389759
methyl 9-[(1S,2S)-2-butylcyclopentyl]nonanoate
CID 101259180
methyl 8-[2-[9-(dimethylamino)heptadecyl]cyclopropyl]octanoate
CID 71679970
methyl 8-[2-[(Z)-oct-2-enyl]cyclopropyl]octanoate
CID 69201087
methyl 8-(2-oct-2-enylcyclopropyl)octanoate
CID 69201092
methyl 8-(2-octylcyclopropyl)-8-oxooctanoate
CID 543365
3-(2-heptylcyclopropyl)propanoic acid
CID 75293982
10-(2-butylcyclopropyl)decanoic acid
CID 71374776
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1R,2R)-2-butylcyclopropyl]propanoate?
The IUPAC name of methyl 3-[(1R,2R)-2-butylcyclopropyl]propanoate (CID 13203150) is methyl 3-[(1R,2R)-2-butylcyclopropyl]propanoate.
What is the SMILES notation for methyl 3-[(1R,2R)-2-butylcyclopropyl]propanoate?
The canonical SMILES for methyl 3-[(1R,2R)-2-butylcyclopropyl]propanoate is CCCC[C@@H]1C[C@H]1CCC(=O)OC.
What is the InChIKey of methyl 3-[(1R,2R)-2-butylcyclopropyl]propanoate?
The InChIKey is QTGFDJZXMAVHCB-NXEZZACHSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-5-9-8-10(9)6-7-11(12)13-2/h9-10H,3-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of methyl 3-[(1R,2R)-2-butylcyclopropyl]propanoate?
methyl 3-[(1R,2R)-2-butylcyclopropyl]propanoate has a molecular weight of 184.28 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1R,2R)-2-butylcyclopropyl]propanoate is sourced from PubChem (CID 13203150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).