2-methyl-2-[3-(propan-2-ylamino)propanoylamino]pentanoic acid

C12H24N2O3 — CID 61162004

IUPAC2-methyl-2-[3-(propan-2-ylamino)propanoylamino]pentanoic acid
SMILESCCCC(C)(NC(=O)CCNC(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-5-7-12(4,11(16)17)14-10(15)6-8-13-9(2)3/h9,13H,5-8H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyLDFBILRDSNTOLH-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.13
Rot. Bonds8

About 2-methyl-2-[3-(propan-2-ylamino)propanoylamino]pentanoic acid

2-methyl-2-[3-(propan-2-ylamino)propanoylamino]pentanoic acid (PubChem CID 61162004) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-methyl-2-[3-(propan-2-ylamino)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[3-(propan-2-ylamino)propanoylamino]pentanoic acid
PubChem CID61162004
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-methyl-2-[3-(propan-2-ylamino)propanoylamino]pentanoic acid
SMILESCCCC(C)(NC(=O)CCNC(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-5-7-12(4,11(16)17)14-10(15)6-8-13-9(2)3/h9,13H,5-8H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyLDFBILRDSNTOLH-UHFFFAOYSA-N
XLogP1.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetamidopropanoylamino)-2-methylpentanoic acid
CID 43618824
2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylpentanoic acid
CID 43618799
2-methyl-2-(3-propan-2-yloxypropanoylamino)pentanoic acid
CID 119191930
2-(4-aminobutanoylamino)-2-methylpentanoic acid
CID 61159882
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-methylpentanoic acid
CID 65291968
2-methyl-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104107
2-[(2-aminoacetyl)amino]-2-methylpentanoic acid
CID 61159879
2-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43619107
2-(7-aminoheptanoylamino)-2-methylpentanoic acid
CID 61161031
2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid
CID 79256791
2-methyl-2-(2-methylbutanoylamino)pentanoic acid
CID 43618557
(2R)-2-(4,4-dimethylpentanoylamino)-2-methylbutanoic acid
CID 97233847

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(propan-2-ylamino)propanoylamino]pentanoic acid?
The IUPAC name of 2-methyl-2-[3-(propan-2-ylamino)propanoylamino]pentanoic acid (CID 61162004) is 2-methyl-2-[3-(propan-2-ylamino)propanoylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[3-(propan-2-ylamino)propanoylamino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[3-(propan-2-ylamino)propanoylamino]pentanoic acid is CCCC(C)(NC(=O)CCNC(C)C)C(=O)O.
What is the InChIKey of 2-methyl-2-[3-(propan-2-ylamino)propanoylamino]pentanoic acid?
The InChIKey is LDFBILRDSNTOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-7-12(4,11(16)17)14-10(15)6-8-13-9(2)3/h9,13H,5-8H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 2-methyl-2-[3-(propan-2-ylamino)propanoylamino]pentanoic acid?
2-methyl-2-[3-(propan-2-ylamino)propanoylamino]pentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.13, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(propan-2-ylamino)propanoylamino]pentanoic acid is sourced from PubChem (CID 61162004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).