4-methylpentan-2-yl 3-(cyclobutanecarbonylamino)propanoate

C14H25NO3 — CID 56801383

IUPAC4-methylpentan-2-yl 3-(cyclobutanecarbonylamino)propanoate
SMILESCC(C)CC(C)OC(=O)CCNC(=O)C1CCC1
InChIInChI=1S/C14H25NO3/c1-10(2)9-11(3)18-13(16)7-8-15-14(17)12-5-4-6-12/h10-12H,4-9H2,1-3H3,(H,15,17)
InChIKeyHSQDGNDXQRNUCF-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.27
Rot. Bonds7

About 4-methylpentan-2-yl 3-(cyclobutanecarbonylamino)propanoate

4-methylpentan-2-yl 3-(cyclobutanecarbonylamino)propanoate (PubChem CID 56801383) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-methylpentan-2-yl 3-(cyclobutanecarbonylamino)propanoate.

Molecular Properties

Compound Name4-methylpentan-2-yl 3-(cyclobutanecarbonylamino)propanoate
PubChem CID56801383
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name4-methylpentan-2-yl 3-(cyclobutanecarbonylamino)propanoate
SMILESCC(C)CC(C)OC(=O)CCNC(=O)C1CCC1
InChIInChI=1S/C14H25NO3/c1-10(2)9-11(3)18-13(16)7-8-15-14(17)12-5-4-6-12/h10-12H,4-9H2,1-3H3,(H,15,17)
InChIKeyHSQDGNDXQRNUCF-UHFFFAOYSA-N
XLogP2.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-cyclopropylethyl] 3-(cyclobutanecarbonylamino)propanoate
CID 95572913
N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide
CID 103771616
2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid
CID 43170171
propan-2-yl 2-(cyclopentanecarbonylamino)acetate
CID 56808767
4-(cyclobutanecarbonylamino)-2-methylbutanoic acid
CID 80538268
prop-2-ynyl 3-(cyclopentanecarbonylamino)propanoate
CID 71895695
N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide
CID 43428011
N-[2-(methylamino)ethyl]cyclobutanecarboxamide
CID 62659847
propan-2-yl 3-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]propanoate;hydroiodide
CID 111037123
N-(2-hydroxyethyl)cyclobutanecarboxamide
CID 43389004
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
pentadecyl 3-(cyclohexanecarbonylamino)propanoate
CID 91741547

Frequently Asked Questions

What is the IUPAC name of 4-methylpentan-2-yl 3-(cyclobutanecarbonylamino)propanoate?
The IUPAC name of 4-methylpentan-2-yl 3-(cyclobutanecarbonylamino)propanoate (CID 56801383) is 4-methylpentan-2-yl 3-(cyclobutanecarbonylamino)propanoate.
What is the SMILES notation for 4-methylpentan-2-yl 3-(cyclobutanecarbonylamino)propanoate?
The canonical SMILES for 4-methylpentan-2-yl 3-(cyclobutanecarbonylamino)propanoate is CC(C)CC(C)OC(=O)CCNC(=O)C1CCC1.
What is the InChIKey of 4-methylpentan-2-yl 3-(cyclobutanecarbonylamino)propanoate?
The InChIKey is HSQDGNDXQRNUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(2)9-11(3)18-13(16)7-8-15-14(17)12-5-4-6-12/h10-12H,4-9H2,1-3H3,(H,15,17).
What are the key properties of 4-methylpentan-2-yl 3-(cyclobutanecarbonylamino)propanoate?
4-methylpentan-2-yl 3-(cyclobutanecarbonylamino)propanoate has a molecular weight of 255.36 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentan-2-yl 3-(cyclobutanecarbonylamino)propanoate is sourced from PubChem (CID 56801383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).