2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid

Name: 2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₂₉NO₃ — CID 63920746

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid

SMILESCCCNC(COC1CCC(C)CC1)(C(=O)O)C1CC1

InChIInChI=1S/C16H29NO3/c1-3-10-17-16(15(18)19,13-6-7-13)11-20-14-8-4-12(2)5-9-14/h12-14,17H,3-11H2,1-2H3,(H,18,19)

InChIKeyHHYHVNDEOGMOBC-UHFFFAOYSA-N

MW283.41 g/mol

LogP2.81

Rot. Bonds8

About 2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid

2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid (PubChem CID 63920746) has the molecular formula C₁₆H₂₉NO₃ and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name	2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid
PubChem CID	63920746
Molecular Formula	C₁₆H₂₉NO₃
Molecular Weight	283.41 g/mol
Exact Mass	283.21
IUPAC Name	2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid
SMILES	CCCNC(COC1CCC(C)CC1)(C(=O)O)C1CC1
InChI	InChI=1S/C16H29NO3/c1-3-10-17-16(15(18)19,13-6-7-13)11-20-14-8-4-12(2)5-9-14/h12-14,17H,3-11H2,1-2H3,(H,18,19)
InChIKey	HHYHVNDEOGMOBC-UHFFFAOYSA-N
XLogP	2.81
TPSA	58.56 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	8
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	283.41
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid?

The IUPAC name of 2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid (CID 63920746) is 2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid.

What is the SMILES notation for 2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid?

The canonical SMILES for 2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid is CCCNC(COC1CCC(C)CC1)(C(=O)O)C1CC1.

What is the InChIKey of 2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid?

The InChIKey is HHYHVNDEOGMOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-10-17-16(15(18)19,13-6-7-13)11-20-14-8-4-12(2)5-9-14/h12-14,17H,3-11H2,1-2H3,(H,18,19).

What are the key properties of 2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid?

2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid has a molecular weight of 283.41 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-3-(4-methylcyclohexyl)oxy-2-(propylamino)propanoic acid is sourced from PubChem (CID 63920746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 63920746 — identifiers, structure, computed properties (public domain)

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