2-[carboxy-[2-[4-(2-cyclohexylethyl)-1,3-oxazol-2-yl]ethyl]amino]-4-methylpentanoic acid

C20H32N2O5 — CID 22144247

IUPAC2-[carboxy-[2-[4-(2-cyclohexylethyl)-1,3-oxazol-2-yl]ethyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)N(CCc1nc(CCC2CCCCC2)co1)C(=O)O
InChIInChI=1S/C20H32N2O5/c1-14(2)12-17(19(23)24)22(20(25)26)11-10-18-21-16(13-27-18)9-8-15-6-4-3-5-7-15/h13-15,17H,3-12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyAUMILWBHCIMHIK-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.21
Rot. Bonds10

About 2-[carboxy-[2-[4-(2-cyclohexylethyl)-1,3-oxazol-2-yl]ethyl]amino]-4-methylpentanoic acid

2-[carboxy-[2-[4-(2-cyclohexylethyl)-1,3-oxazol-2-yl]ethyl]amino]-4-methylpentanoic acid (PubChem CID 22144247) has the molecular formula C20H32N2O5 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[carboxy-[2-[4-(2-cyclohexylethyl)-1,3-oxazol-2-yl]ethyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[carboxy-[2-[4-(2-cyclohexylethyl)-1,3-oxazol-2-yl]ethyl]amino]-4-methylpentanoic acid
PubChem CID22144247
Molecular FormulaC20H32N2O5
Molecular Weight380.49 g/mol
Exact Mass380.23
IUPAC Name2-[carboxy-[2-[4-(2-cyclohexylethyl)-1,3-oxazol-2-yl]ethyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)N(CCc1nc(CCC2CCCCC2)co1)C(=O)O
InChIInChI=1S/C20H32N2O5/c1-14(2)12-17(19(23)24)22(20(25)26)11-10-18-21-16(13-27-18)9-8-15-6-4-3-5-7-15/h13-15,17H,3-12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyAUMILWBHCIMHIK-UHFFFAOYSA-N
XLogP4.21
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxy-[2-[4-(2-cyclohexylethyl)-1,3-oxazol-2-yl]ethyl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[carboxy-[2-[4-(2-cyclohexylethyl)-1,3-oxazol-2-yl]ethyl]amino]-4-methylpentanoic acid (CID 22144247) is 2-[carboxy-[2-[4-(2-cyclohexylethyl)-1,3-oxazol-2-yl]ethyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[carboxy-[2-[4-(2-cyclohexylethyl)-1,3-oxazol-2-yl]ethyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[carboxy-[2-[4-(2-cyclohexylethyl)-1,3-oxazol-2-yl]ethyl]amino]-4-methylpentanoic acid is CC(C)CC(C(=O)O)N(CCc1nc(CCC2CCCCC2)co1)C(=O)O.
What is the InChIKey of 2-[carboxy-[2-[4-(2-cyclohexylethyl)-1,3-oxazol-2-yl]ethyl]amino]-4-methylpentanoic acid?
The InChIKey is AUMILWBHCIMHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O5/c1-14(2)12-17(19(23)24)22(20(25)26)11-10-18-21-16(13-27-18)9-8-15-6-4-3-5-7-15/h13-15,17H,3-12H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 2-[carboxy-[2-[4-(2-cyclohexylethyl)-1,3-oxazol-2-yl]ethyl]amino]-4-methylpentanoic acid?
2-[carboxy-[2-[4-(2-cyclohexylethyl)-1,3-oxazol-2-yl]ethyl]amino]-4-methylpentanoic acid has a molecular weight of 380.49 g/mol, XLogP of 4.21, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxy-[2-[4-(2-cyclohexylethyl)-1,3-oxazol-2-yl]ethyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 22144247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).