4-methyl-6-[(2-methylpyrrolidine-3-carbonyl)amino]hexanoic acid

C13H24N2O3 — CID 79384720

IUPAC4-methyl-6-[(2-methylpyrrolidine-3-carbonyl)amino]hexanoic acid
SMILESCC(CCNC(=O)C1CCNC1C)CCC(=O)O
InChIInChI=1S/C13H24N2O3/c1-9(3-4-12(16)17)5-7-15-13(18)11-6-8-14-10(11)2/h9-11,14H,3-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyVPIUEVZDICGRJI-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.99
Rot. Bonds7

About 4-methyl-6-[(2-methylpyrrolidine-3-carbonyl)amino]hexanoic acid

4-methyl-6-[(2-methylpyrrolidine-3-carbonyl)amino]hexanoic acid (PubChem CID 79384720) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-methyl-6-[(2-methylpyrrolidine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name4-methyl-6-[(2-methylpyrrolidine-3-carbonyl)amino]hexanoic acid
PubChem CID79384720
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-methyl-6-[(2-methylpyrrolidine-3-carbonyl)amino]hexanoic acid
SMILESCC(CCNC(=O)C1CCNC1C)CCC(=O)O
InChIInChI=1S/C13H24N2O3/c1-9(3-4-12(16)17)5-7-15-13(18)11-6-8-14-10(11)2/h9-11,14H,3-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyVPIUEVZDICGRJI-UHFFFAOYSA-N
XLogP0.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-6-[(4-methylpiperidine-2-carbonyl)amino]hexanoic acid
CID 114424090
2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 79388783
N-(3-hydroxy-4-methoxybutyl)-2-methylpyrrolidine-3-carboxamide
CID 106247563
N-[2-(dimethylamino)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79383065
ethyl 3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoate
CID 79389205
2-methyl-N-pent-3-ynylpyrrolidine-3-carboxamide
CID 116644086
6-[[4-(ethylamino)oxolane-3-carbonyl]amino]-4-methylhexanoic acid
CID 66257371
2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 79388540
2-methyl-N-(2-methylprop-2-enyl)pyrrolidine-3-carboxamide
CID 114617185
N-[2-(ethylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide
CID 79388729
(2R,3R)-N-(2-hydroxyethyl)-2-methylpiperidine-3-carboxamide
CID 130891391
2-hydroxy-2-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 79385228

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(2-methylpyrrolidine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 4-methyl-6-[(2-methylpyrrolidine-3-carbonyl)amino]hexanoic acid (CID 79384720) is 4-methyl-6-[(2-methylpyrrolidine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 4-methyl-6-[(2-methylpyrrolidine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 4-methyl-6-[(2-methylpyrrolidine-3-carbonyl)amino]hexanoic acid is CC(CCNC(=O)C1CCNC1C)CCC(=O)O.
What is the InChIKey of 4-methyl-6-[(2-methylpyrrolidine-3-carbonyl)amino]hexanoic acid?
The InChIKey is VPIUEVZDICGRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(3-4-12(16)17)5-7-15-13(18)11-6-8-14-10(11)2/h9-11,14H,3-8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-methyl-6-[(2-methylpyrrolidine-3-carbonyl)amino]hexanoic acid?
4-methyl-6-[(2-methylpyrrolidine-3-carbonyl)amino]hexanoic acid has a molecular weight of 256.35 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(2-methylpyrrolidine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 79384720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).