ethyl 2-[1-[[(2S)-4-oxopentan-2-yl]amino]cyclopropyl]acetate

C12H21NO3 — CID 164995847

IUPACethyl 2-[1-[[(2S)-4-oxopentan-2-yl]amino]cyclopropyl]acetate
SMILESCCOC(=O)CC1(N[C@@H](C)CC(C)=O)CC1
InChIInChI=1S/C12H21NO3/c1-4-16-11(15)8-12(5-6-12)13-9(2)7-10(3)14/h9,13H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyUBYJZRZODSCUIB-VIFPVBQESA-N
MW227.30 g/mol
LogP1.43
Rot. Bonds7

About ethyl 2-[1-[[(2S)-4-oxopentan-2-yl]amino]cyclopropyl]acetate

ethyl 2-[1-[[(2S)-4-oxopentan-2-yl]amino]cyclopropyl]acetate (PubChem CID 164995847) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is ethyl 2-[1-[[(2S)-4-oxopentan-2-yl]amino]cyclopropyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[[(2S)-4-oxopentan-2-yl]amino]cyclopropyl]acetate
PubChem CID164995847
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nameethyl 2-[1-[[(2S)-4-oxopentan-2-yl]amino]cyclopropyl]acetate
SMILESCCOC(=O)CC1(N[C@@H](C)CC(C)=O)CC1
InChIInChI=1S/C12H21NO3/c1-4-16-11(15)8-12(5-6-12)13-9(2)7-10(3)14/h9,13H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyUBYJZRZODSCUIB-VIFPVBQESA-N
XLogP1.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4,4-dimethyl-1-(methylamino)cyclohexyl]acetate
CID 65236678
ethyl 3-[[1-(2-ethoxy-2-oxoethyl)cyclopropyl]amino]propanoate
CID 118977664
ethyl (3R)-3-methyl-4-oxopentanoate
CID 14870757
ethyl 3-[(4-ethoxy-4-oxobutan-2-yl)amino]butanoate
CID 121011286
ethyl 2-[4-propan-2-yl-1-(propylamino)cyclohexyl]acetate
CID 65235883
ethyl 3-oxobutanoate;propan-2-ol
CID 22062382
ethyl 2-[1-(3-oxobutyl)cyclohexyl]acetate
CID 174738160
ethyl 2-[1-(propylamino)cyclohexyl]acetate
CID 65235367
ethyl 5-methyl-3-oxohexanoate;methane;4-methylpentan-2-one
CID 157281866
ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
ethyl 3,4-dimethylpent-4-enoate
CID 14786682
(Z)-2,3-bis(4-ethoxy-4-oxobutan-2-yl)but-2-enedioic acid
CID 175499778

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[[(2S)-4-oxopentan-2-yl]amino]cyclopropyl]acetate?
The IUPAC name of ethyl 2-[1-[[(2S)-4-oxopentan-2-yl]amino]cyclopropyl]acetate (CID 164995847) is ethyl 2-[1-[[(2S)-4-oxopentan-2-yl]amino]cyclopropyl]acetate.
What is the SMILES notation for ethyl 2-[1-[[(2S)-4-oxopentan-2-yl]amino]cyclopropyl]acetate?
The canonical SMILES for ethyl 2-[1-[[(2S)-4-oxopentan-2-yl]amino]cyclopropyl]acetate is CCOC(=O)CC1(N[C@@H](C)CC(C)=O)CC1.
What is the InChIKey of ethyl 2-[1-[[(2S)-4-oxopentan-2-yl]amino]cyclopropyl]acetate?
The InChIKey is UBYJZRZODSCUIB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-16-11(15)8-12(5-6-12)13-9(2)7-10(3)14/h9,13H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of ethyl 2-[1-[[(2S)-4-oxopentan-2-yl]amino]cyclopropyl]acetate?
ethyl 2-[1-[[(2S)-4-oxopentan-2-yl]amino]cyclopropyl]acetate has a molecular weight of 227.30 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[[(2S)-4-oxopentan-2-yl]amino]cyclopropyl]acetate is sourced from PubChem (CID 164995847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).