(4-methylcyclohexyl) 3-(propan-2-ylamino)propanoate

C13H25NO2 — CID 61279656

IUPAC(4-methylcyclohexyl) 3-(propan-2-ylamino)propanoate
SMILESCC1CCC(OC(=O)CCNC(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-10(2)14-9-8-13(15)16-12-6-4-11(3)5-7-12/h10-12,14H,4-9H2,1-3H3
InChIKeyUVUUAKGJVBMQMV-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds5

About (4-methylcyclohexyl) 3-(propan-2-ylamino)propanoate

(4-methylcyclohexyl) 3-(propan-2-ylamino)propanoate (PubChem CID 61279656) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (4-methylcyclohexyl) 3-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Name(4-methylcyclohexyl) 3-(propan-2-ylamino)propanoate
PubChem CID61279656
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(4-methylcyclohexyl) 3-(propan-2-ylamino)propanoate
SMILESCC1CCC(OC(=O)CCNC(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-10(2)14-9-8-13(15)16-12-6-4-11(3)5-7-12/h10-12,14H,4-9H2,1-3H3
InChIKeyUVUUAKGJVBMQMV-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl) 3-(propan-2-ylamino)propanoate?
The IUPAC name of (4-methylcyclohexyl) 3-(propan-2-ylamino)propanoate (CID 61279656) is (4-methylcyclohexyl) 3-(propan-2-ylamino)propanoate.
What is the SMILES notation for (4-methylcyclohexyl) 3-(propan-2-ylamino)propanoate?
The canonical SMILES for (4-methylcyclohexyl) 3-(propan-2-ylamino)propanoate is CC1CCC(OC(=O)CCNC(C)C)CC1.
What is the InChIKey of (4-methylcyclohexyl) 3-(propan-2-ylamino)propanoate?
The InChIKey is UVUUAKGJVBMQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)14-9-8-13(15)16-12-6-4-11(3)5-7-12/h10-12,14H,4-9H2,1-3H3.
What are the key properties of (4-methylcyclohexyl) 3-(propan-2-ylamino)propanoate?
(4-methylcyclohexyl) 3-(propan-2-ylamino)propanoate has a molecular weight of 227.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl) 3-(propan-2-ylamino)propanoate is sourced from PubChem (CID 61279656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).