[(1S)-1-cyclopropylethyl] 3-(cyclobutanecarbonylamino)propanoate

C13H21NO3 — CID 95572913

IUPAC[(1S)-1-cyclopropylethyl] 3-(cyclobutanecarbonylamino)propanoate
SMILESC[C@H](OC(=O)CCNC(=O)C1CCC1)C1CC1
InChIInChI=1S/C13H21NO3/c1-9(10-5-6-10)17-12(15)7-8-14-13(16)11-3-2-4-11/h9-11H,2-8H2,1H3,(H,14,16)/t9-/m0/s1
InChIKeyFZNXVBZINFANOF-VIFPVBQESA-N
MW239.31 g/mol
LogP1.63
Rot. Bonds6

About [(1S)-1-cyclopropylethyl] 3-(cyclobutanecarbonylamino)propanoate

[(1S)-1-cyclopropylethyl] 3-(cyclobutanecarbonylamino)propanoate (PubChem CID 95572913) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is [(1S)-1-cyclopropylethyl] 3-(cyclobutanecarbonylamino)propanoate.

Molecular Properties

Compound Name[(1S)-1-cyclopropylethyl] 3-(cyclobutanecarbonylamino)propanoate
PubChem CID95572913
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name[(1S)-1-cyclopropylethyl] 3-(cyclobutanecarbonylamino)propanoate
SMILESC[C@H](OC(=O)CCNC(=O)C1CCC1)C1CC1
InChIInChI=1S/C13H21NO3/c1-9(10-5-6-10)17-12(15)7-8-14-13(16)11-3-2-4-11/h9-11H,2-8H2,1H3,(H,14,16)/t9-/m0/s1
InChIKeyFZNXVBZINFANOF-VIFPVBQESA-N
XLogP1.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylpentan-2-yl 3-(cyclobutanecarbonylamino)propanoate
CID 56801383
propan-2-yl 2-(cyclopentanecarbonylamino)acetate
CID 56808767
N-[3-(1-cyclopropylethylamino)propyl]cyclobutanecarboxamide;hydrochloride
CID 115677517
propan-2-yl 3-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]propanoate;hydroiodide
CID 111037123
4-(cyclobutanecarbonylamino)-2-methylbutanoic acid
CID 80538268
N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide
CID 43428011
prop-2-ynyl 3-(cyclopentanecarbonylamino)propanoate
CID 71895695
N-[2-(methylamino)ethyl]cyclobutanecarboxamide
CID 62659847
N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]cyclopentanecarboxamide
CID 115966177
N-(2-hydroxyethyl)cyclobutanecarboxamide
CID 43389004
pentadecyl 3-(cyclohexanecarbonylamino)propanoate
CID 91741547
3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid
CID 55105354

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-cyclopropylethyl] 3-(cyclobutanecarbonylamino)propanoate?
The IUPAC name of [(1S)-1-cyclopropylethyl] 3-(cyclobutanecarbonylamino)propanoate (CID 95572913) is [(1S)-1-cyclopropylethyl] 3-(cyclobutanecarbonylamino)propanoate.
What is the SMILES notation for [(1S)-1-cyclopropylethyl] 3-(cyclobutanecarbonylamino)propanoate?
The canonical SMILES for [(1S)-1-cyclopropylethyl] 3-(cyclobutanecarbonylamino)propanoate is C[C@H](OC(=O)CCNC(=O)C1CCC1)C1CC1.
What is the InChIKey of [(1S)-1-cyclopropylethyl] 3-(cyclobutanecarbonylamino)propanoate?
The InChIKey is FZNXVBZINFANOF-VIFPVBQESA-N. The full InChI is InChI=1S/C13H21NO3/c1-9(10-5-6-10)17-12(15)7-8-14-13(16)11-3-2-4-11/h9-11H,2-8H2,1H3,(H,14,16)/t9-/m0/s1.
What are the key properties of [(1S)-1-cyclopropylethyl] 3-(cyclobutanecarbonylamino)propanoate?
[(1S)-1-cyclopropylethyl] 3-(cyclobutanecarbonylamino)propanoate has a molecular weight of 239.31 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-cyclopropylethyl] 3-(cyclobutanecarbonylamino)propanoate is sourced from PubChem (CID 95572913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).