2-imidazolidin-1-yl-2-methylpentanoic acid

C9H18N2O2 — CID 70118426

IUPAC2-imidazolidin-1-yl-2-methylpentanoic acid
SMILESCCCC(C)(C(=O)O)N1CCNC1
InChIInChI=1S/C9H18N2O2/c1-3-4-9(2,8(12)13)11-6-5-10-7-11/h10H,3-7H2,1-2H3,(H,12,13)
InChIKeyDOSAUEUPLHPHFR-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.49
Rot. Bonds4

About 2-imidazolidin-1-yl-2-methylpentanoic acid

2-imidazolidin-1-yl-2-methylpentanoic acid (PubChem CID 70118426) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-imidazolidin-1-yl-2-methylpentanoic acid.

Molecular Properties

Compound Name2-imidazolidin-1-yl-2-methylpentanoic acid
PubChem CID70118426
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-imidazolidin-1-yl-2-methylpentanoic acid
SMILESCCCC(C)(C(=O)O)N1CCNC1
InChIInChI=1S/C9H18N2O2/c1-3-4-9(2,8(12)13)11-6-5-10-7-11/h10H,3-7H2,1-2H3,(H,12,13)
InChIKeyDOSAUEUPLHPHFR-UHFFFAOYSA-N
XLogP0.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-2-[(pyrrolidine-1-carbonyl)amino]pentanoic acid
CID 664038
2-[[2-(Dimethylamino)ethyl-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 18917710
2-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
CID 22282537
(2S)-2-[2-(dimethylamino)ethylcarbamoyl-methylamino]-4-methylpentanoic acid
CID 22845679
N-[[[2-(Dimethylamino)ethyl]methylamino]carbonyl]-L-leucine
CID 54549347
3-Methyl-2-(3-methylimidazolidin-1-yl)pentanoic acid
CID 57734977
(2S,3S)-2-tert-butyl-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid
CID 67405865
(2S,3S)-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid
CID 67409048
2-[(2-Oxoimidazolidine-1-carbonyl)amino]-2-propylpentanoic acid
CID 68343773
2-(2,4-Dioxoimidazolidin-1-yl)-2-ethylpentanoic acid
CID 69015393
2-Ethyl-2-imidazolidin-1-yl-3,4-dioxopentanoic acid
CID 69015395
(s)-2-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
CID 69108488

Frequently Asked Questions

What is the IUPAC name of 2-imidazolidin-1-yl-2-methylpentanoic acid?
The IUPAC name of 2-imidazolidin-1-yl-2-methylpentanoic acid (CID 70118426) is 2-imidazolidin-1-yl-2-methylpentanoic acid.
What is the SMILES notation for 2-imidazolidin-1-yl-2-methylpentanoic acid?
The canonical SMILES for 2-imidazolidin-1-yl-2-methylpentanoic acid is CCCC(C)(C(=O)O)N1CCNC1.
What is the InChIKey of 2-imidazolidin-1-yl-2-methylpentanoic acid?
The InChIKey is DOSAUEUPLHPHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-4-9(2,8(12)13)11-6-5-10-7-11/h10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-imidazolidin-1-yl-2-methylpentanoic acid?
2-imidazolidin-1-yl-2-methylpentanoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazolidin-1-yl-2-methylpentanoic acid is sourced from PubChem (CID 70118426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).