1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid

C18H30N2O6 — CID 59256419

IUPAC1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NC(C(=O)N1CC(O)CC1C(=O)O)C1CCCCC1
InChIInChI=1S/C18H30N2O6/c1-18(2,3)26-17(25)19-14(11-7-5-4-6-8-11)15(22)20-10-12(21)9-13(20)16(23)24/h11-14,21H,4-10H2,1-3H3,(H,19,25)(H,23,24)
InChIKeyUDFONAUAHUMNBB-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.51
Rot. Bonds4

About 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 59256419) has the molecular formula C18H30N2O6 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID59256419
Molecular FormulaC18H30N2O6
Molecular Weight370.45 g/mol
Exact Mass370.21
IUPAC Name1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NC(C(=O)N1CC(O)CC1C(=O)O)C1CCCCC1
InChIInChI=1S/C18H30N2O6/c1-18(2,3)26-17(25)19-14(11-7-5-4-6-8-11)15(22)20-10-12(21)9-13(20)16(23)24/h11-14,21H,4-10H2,1-3H3,(H,19,25)(H,23,24)
InChIKeyUDFONAUAHUMNBB-UHFFFAOYSA-N
XLogP1.51
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 59256419) is 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid is CC(C)(C)OC(=O)NC(C(=O)N1CC(O)CC1C(=O)O)C1CCCCC1.
What is the InChIKey of 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is UDFONAUAHUMNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O6/c1-18(2,3)26-17(25)19-14(11-7-5-4-6-8-11)15(22)20-10-12(21)9-13(20)16(23)24/h11-14,21H,4-10H2,1-3H3,(H,19,25)(H,23,24).
What are the key properties of 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 370.45 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 59256419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).