methyl 3-[cyclopentyl(cyclopropanecarbonyl)amino]propanoate

C13H21NO3 — CID 48865248

IUPACmethyl 3-[cyclopentyl(cyclopropanecarbonyl)amino]propanoate
SMILESCOC(=O)CCN(C(=O)C1CC1)C1CCCC1
InChIInChI=1S/C13H21NO3/c1-17-12(15)8-9-14(11-4-2-3-5-11)13(16)10-6-7-10/h10-11H,2-9H2,1H3
InChIKeyDHLOGVRTHABHLB-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.73
Rot. Bonds5

About methyl 3-[cyclopentyl(cyclopropanecarbonyl)amino]propanoate

methyl 3-[cyclopentyl(cyclopropanecarbonyl)amino]propanoate (PubChem CID 48865248) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is methyl 3-[cyclopentyl(cyclopropanecarbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[cyclopentyl(cyclopropanecarbonyl)amino]propanoate
PubChem CID48865248
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namemethyl 3-[cyclopentyl(cyclopropanecarbonyl)amino]propanoate
SMILESCOC(=O)CCN(C(=O)C1CC1)C1CCCC1
InChIInChI=1S/C13H21NO3/c1-17-12(15)8-9-14(11-4-2-3-5-11)13(16)10-6-7-10/h10-11H,2-9H2,1H3
InChIKeyDHLOGVRTHABHLB-UHFFFAOYSA-N
XLogP1.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[cyclopentyl(propanoyl)amino]propanoate
CID 48865277
3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid
CID 60845034
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopentylcyclopropanecarboxamide
CID 82103875
1-N,4-N-dicyclopentyl-1-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 55587581
methyl 3-[2-[bis[2-[cyclododecyl-(3-methoxy-3-oxopropyl)amino]ethyl]amino]ethyl-cyclododecylamino]propanoate
CID 15664430
methyl 2-[[(1R)-cyclohex-3-ene-1-carbonyl]-cyclopentylamino]acetate
CID 97062584
methyl 2-[acetyl(cyclopentyl)amino]acetate
CID 80709615
methyl 2-[cyclopentyl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]acetate
CID 80709783
methyl 3-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-ethylamino]propanoate
CID 62026607
methyl 3-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60794433
N-cyclopentyl-N-(2-hydroxyethyl)cyclohexanecarboxamide
CID 54994642
N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide
CID 55187406

Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclopentyl(cyclopropanecarbonyl)amino]propanoate?
The IUPAC name of methyl 3-[cyclopentyl(cyclopropanecarbonyl)amino]propanoate (CID 48865248) is methyl 3-[cyclopentyl(cyclopropanecarbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[cyclopentyl(cyclopropanecarbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[cyclopentyl(cyclopropanecarbonyl)amino]propanoate is COC(=O)CCN(C(=O)C1CC1)C1CCCC1.
What is the InChIKey of methyl 3-[cyclopentyl(cyclopropanecarbonyl)amino]propanoate?
The InChIKey is DHLOGVRTHABHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-17-12(15)8-9-14(11-4-2-3-5-11)13(16)10-6-7-10/h10-11H,2-9H2,1H3.
What are the key properties of methyl 3-[cyclopentyl(cyclopropanecarbonyl)amino]propanoate?
methyl 3-[cyclopentyl(cyclopropanecarbonyl)amino]propanoate has a molecular weight of 239.31 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclopentyl(cyclopropanecarbonyl)amino]propanoate is sourced from PubChem (CID 48865248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).