2-methylbutan-2-yl 1-[2-[(2-amino-2-cyclohexylacetyl)amino]acetyl]-4-hydroxypyrrolidine-2-carboxylate;2-methylpropane

C24H45N3O5 — CID 143031654

IUPAC2-methylbutan-2-yl 1-[2-[(2-amino-2-cyclohexylacetyl)amino]acetyl]-4-hydroxypyrrolidine-2-carboxylate;2-methylpropane
SMILESCC(C)C.CCC(C)(C)OC(=O)C1CC(O)CN1C(=O)CNC(=O)C(N)C1CCCCC1
InChIInChI=1S/C20H35N3O5.C4H10/c1-4-20(2,3)28-19(27)15-10-14(24)12-23(15)16(25)11-22-18(26)17(21)13-8-6-5-7-9-13;1-4(2)3/h13-15,17,24H,4-12,21H2,1-3H3,(H,22,26);4H,1-3H3
InChIKeyQFICNXSHEHXMIE-UHFFFAOYSA-N
MW455.64 g/mol
LogP2.37
Rot. Bonds7

About 2-methylbutan-2-yl 1-[2-[(2-amino-2-cyclohexylacetyl)amino]acetyl]-4-hydroxypyrrolidine-2-carboxylate;2-methylpropane

2-methylbutan-2-yl 1-[2-[(2-amino-2-cyclohexylacetyl)amino]acetyl]-4-hydroxypyrrolidine-2-carboxylate;2-methylpropane (PubChem CID 143031654) has the molecular formula C24H45N3O5 and a molecular weight of 455.64 g/mol. Its IUPAC name is 2-methylbutan-2-yl 1-[2-[(2-amino-2-cyclohexylacetyl)amino]acetyl]-4-hydroxypyrrolidine-2-carboxylate;2-methylpropane.

Molecular Properties

Compound Name2-methylbutan-2-yl 1-[2-[(2-amino-2-cyclohexylacetyl)amino]acetyl]-4-hydroxypyrrolidine-2-carboxylate;2-methylpropane
PubChem CID143031654
Molecular FormulaC24H45N3O5
Molecular Weight455.64 g/mol
Exact Mass455.34
IUPAC Name2-methylbutan-2-yl 1-[2-[(2-amino-2-cyclohexylacetyl)amino]acetyl]-4-hydroxypyrrolidine-2-carboxylate;2-methylpropane
SMILESCC(C)C.CCC(C)(C)OC(=O)C1CC(O)CN1C(=O)CNC(=O)C(N)C1CCCCC1
InChIInChI=1S/C20H35N3O5.C4H10/c1-4-20(2,3)28-19(27)15-10-14(24)12-23(15)16(25)11-22-18(26)17(21)13-8-6-5-7-9-13;1-4(2)3/h13-15,17,24H,4-12,21H2,1-3H3,(H,22,26);4H,1-3H3
InChIKeyQFICNXSHEHXMIE-UHFFFAOYSA-N
XLogP2.37
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.64
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-methylbutan-2-yl 1-[2-[(2-amino-2-cyclohexylacetyl)amino]acetyl]-4-hydroxypyrrolidine-2-carboxylate;2-methylpropane with MolForge

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Related Compounds

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cyclo[Chg-D-N(Me)Ser-Pro-Ile-N(Me)Val-Leu-N(Me)Val(3-OH)-D-OaIle-N(Me)Val]
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Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 1-[2-[(2-amino-2-cyclohexylacetyl)amino]acetyl]-4-hydroxypyrrolidine-2-carboxylate;2-methylpropane?
The IUPAC name of 2-methylbutan-2-yl 1-[2-[(2-amino-2-cyclohexylacetyl)amino]acetyl]-4-hydroxypyrrolidine-2-carboxylate;2-methylpropane (CID 143031654) is 2-methylbutan-2-yl 1-[2-[(2-amino-2-cyclohexylacetyl)amino]acetyl]-4-hydroxypyrrolidine-2-carboxylate;2-methylpropane.
What is the SMILES notation for 2-methylbutan-2-yl 1-[2-[(2-amino-2-cyclohexylacetyl)amino]acetyl]-4-hydroxypyrrolidine-2-carboxylate;2-methylpropane?
The canonical SMILES for 2-methylbutan-2-yl 1-[2-[(2-amino-2-cyclohexylacetyl)amino]acetyl]-4-hydroxypyrrolidine-2-carboxylate;2-methylpropane is CC(C)C.CCC(C)(C)OC(=O)C1CC(O)CN1C(=O)CNC(=O)C(N)C1CCCCC1.
What is the InChIKey of 2-methylbutan-2-yl 1-[2-[(2-amino-2-cyclohexylacetyl)amino]acetyl]-4-hydroxypyrrolidine-2-carboxylate;2-methylpropane?
The InChIKey is QFICNXSHEHXMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O5.C4H10/c1-4-20(2,3)28-19(27)15-10-14(24)12-23(15)16(25)11-22-18(26)17(21)13-8-6-5-7-9-13;1-4(2)3/h13-15,17,24H,4-12,21H2,1-3H3,(H,22,26);4H,1-3H3.
What are the key properties of 2-methylbutan-2-yl 1-[2-[(2-amino-2-cyclohexylacetyl)amino]acetyl]-4-hydroxypyrrolidine-2-carboxylate;2-methylpropane?
2-methylbutan-2-yl 1-[2-[(2-amino-2-cyclohexylacetyl)amino]acetyl]-4-hydroxypyrrolidine-2-carboxylate;2-methylpropane has a molecular weight of 455.64 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 1-[2-[(2-amino-2-cyclohexylacetyl)amino]acetyl]-4-hydroxypyrrolidine-2-carboxylate;2-methylpropane is sourced from PubChem (CID 143031654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).