2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid

C13H24N2O3 — CID 61209577

IUPAC2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
SMILESCCC1CCCN1C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-10-6-5-7-15(10)13(18)14-11(12(16)17)8-9(2)3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyKPYBSLJPEKDRHB-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.07
Rot. Bonds5

About 2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid

2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 61209577) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
PubChem CID61209577
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
SMILESCCC1CCCN1C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-10-6-5-7-15(10)13(18)14-11(12(16)17)8-9(2)3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyKPYBSLJPEKDRHB-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107826455
(2S)-2-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]-4-methylpentanoate
CID 6956248
(2R)-4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 107826453
4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 61207093
(2R)-4-methyl-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 79014111
(2R)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]hexanedioic acid
CID 107838651
(2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 61187523
2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid
CID 62480415
(2S)-5-amino-2-[(2-ethylazepane-1-carbonyl)amino]-5-oxopentanoic acid
CID 104690935
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]propanoic acid
CID 104690934
2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 61196765
(2S)-2-[(3-ethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61203541

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid (CID 61209577) is 2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid is CCC1CCCN1C(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is KPYBSLJPEKDRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-10-6-5-7-15(10)13(18)14-11(12(16)17)8-9(2)3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid?
2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 61209577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).