4-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pentanoic acid

C13H25N3O3 — CID 106021011

IUPAC4-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)NCC1CCCN1C
InChIInChI=1S/C13H25N3O3/c1-10(5-6-12(17)18)8-14-13(19)15-9-11-4-3-7-16(11)2/h10-11H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyUSKVIHQACSWWHC-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.88
Rot. Bonds7

About 4-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pentanoic acid

4-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pentanoic acid (PubChem CID 106021011) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pentanoic acid
PubChem CID106021011
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name4-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)NCC1CCCN1C
InChIInChI=1S/C13H25N3O3/c1-10(5-6-12(17)18)8-14-13(19)15-9-11-4-3-7-16(11)2/h10-11H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyUSKVIHQACSWWHC-UHFFFAOYSA-N
XLogP0.88
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-[(1-methylpiperidin-2-yl)methylcarbamoylamino]pentanoic acid
CID 82014411
3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid
CID 106021158
5-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 82014093
(2R)-5-amino-2-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 106021134
4-methyl-5-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
CID 107297551
2-[methyl-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]amino]acetic acid
CID 106020947
5-(cyclohexylcarbamoylamino)-4-methylpentanoic acid
CID 82684243
3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-sulfanylbutanamide
CID 106024016
4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 82682847
2-methyl-2-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]butanoic acid
CID 114137834
1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111506167
3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 106021300

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pentanoic acid (CID 106021011) is 4-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pentanoic acid is CC(CCC(=O)O)CNC(=O)NCC1CCCN1C.
What is the InChIKey of 4-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pentanoic acid?
The InChIKey is USKVIHQACSWWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-10(5-6-12(17)18)8-14-13(19)15-9-11-4-3-7-16(11)2/h10-11H,3-9H2,1-2H3,(H,17,18)(H2,14,15,19).
What are the key properties of 4-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pentanoic acid?
4-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 106021011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).