5-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid

C12H22N2O4 — CID 103357258

IUPAC5-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N1CCC(C)(O)C1
InChIInChI=1S/C12H22N2O4/c1-9(3-4-10(15)16)7-13-11(17)14-6-5-12(2,18)8-14/h9,18H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyBKVBKAIMTDUPOW-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.65
Rot. Bonds5

About 5-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid

5-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 103357258) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
PubChem CID103357258
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name5-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N1CCC(C)(O)C1
InChIInChI=1S/C12H22N2O4/c1-9(3-4-10(15)16)7-13-11(17)14-6-5-12(2,18)8-14/h9,18H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyBKVBKAIMTDUPOW-UHFFFAOYSA-N
XLogP0.65
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid
CID 82682716
(3S)-3-[[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 103357069
5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 106670569
5-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 82013036
4-methyl-5-[(4-methyl-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 82688949
4-methyl-5-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 113418247
4-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pentanoic acid
CID 106315845
4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 82682847
3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-methylamino]propanoic acid
CID 103357125
5-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 82013484
4-methyl-5-[(4-propan-2-ylazepane-1-carbonyl)amino]pentanoic acid
CID 82014265
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]pentanedioic acid
CID 81115043

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid (CID 103357258) is 5-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)N1CCC(C)(O)C1.
What is the InChIKey of 5-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is BKVBKAIMTDUPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-9(3-4-10(15)16)7-13-11(17)14-6-5-12(2,18)8-14/h9,18H,3-8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 5-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid?
5-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 103357258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).