4-methyl-2-[[4-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]cyclohexanecarbonyl]amino]pentanoic acid

C24H41N3O6 — CID 4839191

IUPAC4-methyl-2-[[4-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]cyclohexanecarbonyl]amino]pentanoic acid
SMILESCC(C)CC(NC(=O)C1CCC(CNC(=O)C2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)O
InChIInChI=1S/C24H41N3O6/c1-15(2)13-18(22(30)31)26-20(28)17-10-8-16(9-11-17)14-25-21(29)19-7-6-12-27(19)23(32)33-24(3,4)5/h15-19H,6-14H2,1-5H3,(H,25,29)(H,26,28)(H,30,31)
InChIKeyHVGCUVAUEAVLRK-UHFFFAOYSA-N
MW467.61 g/mol
LogP2.92
Rot. Bonds8

About 4-methyl-2-[[4-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]cyclohexanecarbonyl]amino]pentanoic acid

4-methyl-2-[[4-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]cyclohexanecarbonyl]amino]pentanoic acid (PubChem CID 4839191) has the molecular formula C24H41N3O6 and a molecular weight of 467.61 g/mol. Its IUPAC name is 4-methyl-2-[[4-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]cyclohexanecarbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[4-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]cyclohexanecarbonyl]amino]pentanoic acid
PubChem CID4839191
Molecular FormulaC24H41N3O6
Molecular Weight467.61 g/mol
Exact Mass467.30
IUPAC Name4-methyl-2-[[4-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]cyclohexanecarbonyl]amino]pentanoic acid
SMILESCC(C)CC(NC(=O)C1CCC(CNC(=O)C2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)O
InChIInChI=1S/C24H41N3O6/c1-15(2)13-18(22(30)31)26-20(28)17-10-8-16(9-11-17)14-25-21(29)19-7-6-12-27(19)23(32)33-24(3,4)5/h15-19H,6-14H2,1-5H3,(H,25,29)(H,26,28)(H,30,31)
InChIKeyHVGCUVAUEAVLRK-UHFFFAOYSA-N
XLogP2.92
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[[4-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]cyclohexanecarbonyl]amino]pentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (2S)-2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 54434342
2-[[(2S)-4-methyl-2-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetic acid
CID 7154484
tert-butyl (2S)-2-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 101040287
4-methyl-2-[[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]methyl]cyclohexanecarbonyl]amino]pentanoic acid
CID 4838632
tert-butyl 2-[[2-[(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 123669388
tert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate
CID 70050480
tert-butyl 2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate
CID 57153522
(2R)-2-[[2-hydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetyl]amino]-4-methylpentanoic acid
CID 67876270
tert-butyl (2S)-2-[[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 99783192
(2S)-3-methyl-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]butanoic acid
CID 11758831
(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid;hydrochloride
CID 139607955
tert-butyl 2-(2-piperidin-1-ylpropylcarbamoyl)pyrrolidine-1-carboxylate
CID 110620641

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[4-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]cyclohexanecarbonyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[[4-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]cyclohexanecarbonyl]amino]pentanoic acid (CID 4839191) is 4-methyl-2-[[4-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]cyclohexanecarbonyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[4-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]cyclohexanecarbonyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[4-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]cyclohexanecarbonyl]amino]pentanoic acid is CC(C)CC(NC(=O)C1CCC(CNC(=O)C2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)O.
What is the InChIKey of 4-methyl-2-[[4-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]cyclohexanecarbonyl]amino]pentanoic acid?
The InChIKey is HVGCUVAUEAVLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O6/c1-15(2)13-18(22(30)31)26-20(28)17-10-8-16(9-11-17)14-25-21(29)19-7-6-12-27(19)23(32)33-24(3,4)5/h15-19H,6-14H2,1-5H3,(H,25,29)(H,26,28)(H,30,31).
What are the key properties of 4-methyl-2-[[4-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]cyclohexanecarbonyl]amino]pentanoic acid?
4-methyl-2-[[4-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]cyclohexanecarbonyl]amino]pentanoic acid has a molecular weight of 467.61 g/mol, XLogP of 2.92, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[4-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]cyclohexanecarbonyl]amino]pentanoic acid is sourced from PubChem (CID 4839191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).