4-methylpentan-2-yl 3-(cyclopentanecarbonylamino)butanoate

C16H29NO3 — CID 56801380

IUPAC4-methylpentan-2-yl 3-(cyclopentanecarbonylamino)butanoate
SMILESCC(C)CC(C)OC(=O)CC(C)NC(=O)C1CCCC1
InChIInChI=1S/C16H29NO3/c1-11(2)9-13(4)20-15(18)10-12(3)17-16(19)14-7-5-6-8-14/h11-14H,5-10H2,1-4H3,(H,17,19)
InChIKeyZNNKWICOFAXFCN-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.05
Rot. Bonds7

About 4-methylpentan-2-yl 3-(cyclopentanecarbonylamino)butanoate

4-methylpentan-2-yl 3-(cyclopentanecarbonylamino)butanoate (PubChem CID 56801380) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-methylpentan-2-yl 3-(cyclopentanecarbonylamino)butanoate.

Molecular Properties

Compound Name4-methylpentan-2-yl 3-(cyclopentanecarbonylamino)butanoate
PubChem CID56801380
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name4-methylpentan-2-yl 3-(cyclopentanecarbonylamino)butanoate
SMILESCC(C)CC(C)OC(=O)CC(C)NC(=O)C1CCCC1
InChIInChI=1S/C16H29NO3/c1-11(2)9-13(4)20-15(18)10-12(3)17-16(19)14-7-5-6-8-14/h11-14H,5-10H2,1-4H3,(H,17,19)
InChIKeyZNNKWICOFAXFCN-UHFFFAOYSA-N
XLogP3.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 61807198
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CID 91726233
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CID 91730067
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CID 91733092
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CID 45119239
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CID 135075554
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CID 56808599
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CID 45089494
CID 45089494

Frequently Asked Questions

What is the IUPAC name of 4-methylpentan-2-yl 3-(cyclopentanecarbonylamino)butanoate?
The IUPAC name of 4-methylpentan-2-yl 3-(cyclopentanecarbonylamino)butanoate (CID 56801380) is 4-methylpentan-2-yl 3-(cyclopentanecarbonylamino)butanoate.
What is the SMILES notation for 4-methylpentan-2-yl 3-(cyclopentanecarbonylamino)butanoate?
The canonical SMILES for 4-methylpentan-2-yl 3-(cyclopentanecarbonylamino)butanoate is CC(C)CC(C)OC(=O)CC(C)NC(=O)C1CCCC1.
What is the InChIKey of 4-methylpentan-2-yl 3-(cyclopentanecarbonylamino)butanoate?
The InChIKey is ZNNKWICOFAXFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-11(2)9-13(4)20-15(18)10-12(3)17-16(19)14-7-5-6-8-14/h11-14H,5-10H2,1-4H3,(H,17,19).
What are the key properties of 4-methylpentan-2-yl 3-(cyclopentanecarbonylamino)butanoate?
4-methylpentan-2-yl 3-(cyclopentanecarbonylamino)butanoate has a molecular weight of 283.41 g/mol, XLogP of 3.05, 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-(cyclopentanecarbonylamino)butanoate is sourced from PubChem (CID 56801380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).