2-[3-cyclohexyl-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrrolidine-1-carboxylic acid

C19H34N2O5 — CID 19887780

IUPAC2-[3-cyclohexyl-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NC(CC1CCCCC1)C(O)C1CCCN1C(=O)O
InChIInChI=1S/C19H34N2O5/c1-19(2,3)26-17(23)20-14(12-13-8-5-4-6-9-13)16(22)15-10-7-11-21(15)18(24)25/h13-16,22H,4-12H2,1-3H3,(H,20,23)(H,24,25)
InChIKeyKDMCASJQICAHAA-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.35
Rot. Bonds5

About 2-[3-cyclohexyl-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrrolidine-1-carboxylic acid

2-[3-cyclohexyl-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrrolidine-1-carboxylic acid (PubChem CID 19887780) has the molecular formula C19H34N2O5 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-[3-cyclohexyl-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-cyclohexyl-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrrolidine-1-carboxylic acid
PubChem CID19887780
Molecular FormulaC19H34N2O5
Molecular Weight370.49 g/mol
Exact Mass370.25
IUPAC Name2-[3-cyclohexyl-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NC(CC1CCCCC1)C(O)C1CCCN1C(=O)O
InChIInChI=1S/C19H34N2O5/c1-19(2,3)26-17(23)20-14(12-13-8-5-4-6-9-13)16(22)15-10-7-11-21(15)18(24)25/h13-16,22H,4-12H2,1-3H3,(H,20,23)(H,24,25)
InChIKeyKDMCASJQICAHAA-UHFFFAOYSA-N
XLogP3.35
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclohexyl-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[3-cyclohexyl-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrrolidine-1-carboxylic acid (CID 19887780) is 2-[3-cyclohexyl-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[3-cyclohexyl-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[3-cyclohexyl-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrrolidine-1-carboxylic acid is CC(C)(C)OC(=O)NC(CC1CCCCC1)C(O)C1CCCN1C(=O)O.
What is the InChIKey of 2-[3-cyclohexyl-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrrolidine-1-carboxylic acid?
The InChIKey is KDMCASJQICAHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O5/c1-19(2,3)26-17(23)20-14(12-13-8-5-4-6-9-13)16(22)15-10-7-11-21(15)18(24)25/h13-16,22H,4-12H2,1-3H3,(H,20,23)(H,24,25).
What are the key properties of 2-[3-cyclohexyl-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrrolidine-1-carboxylic acid?
2-[3-cyclohexyl-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrrolidine-1-carboxylic acid has a molecular weight of 370.49 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclohexyl-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 19887780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).