3-[[3-(2,2-dimethylpropanoylamino)propanoylamino]methyl]pentanoic acid

C14H26N2O4 — CID 81065507

IUPAC3-[[3-(2,2-dimethylpropanoylamino)propanoylamino]methyl]pentanoic acid
SMILESCCC(CNC(=O)CCNC(=O)C(C)(C)C)CC(=O)O
InChIInChI=1S/C14H26N2O4/c1-5-10(8-12(18)19)9-16-11(17)6-7-15-13(20)14(2,3)4/h10H,5-9H2,1-4H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyJZFWJYCVXOWCDP-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.16
Rot. Bonds8

About 3-[[3-(2,2-dimethylpropanoylamino)propanoylamino]methyl]pentanoic acid

3-[[3-(2,2-dimethylpropanoylamino)propanoylamino]methyl]pentanoic acid (PubChem CID 81065507) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[[3-(2,2-dimethylpropanoylamino)propanoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[3-(2,2-dimethylpropanoylamino)propanoylamino]methyl]pentanoic acid
PubChem CID81065507
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-[[3-(2,2-dimethylpropanoylamino)propanoylamino]methyl]pentanoic acid
SMILESCCC(CNC(=O)CCNC(=O)C(C)(C)C)CC(=O)O
InChIInChI=1S/C14H26N2O4/c1-5-10(8-12(18)19)9-16-11(17)6-7-15-13(20)14(2,3)4/h10H,5-9H2,1-4H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyJZFWJYCVXOWCDP-UHFFFAOYSA-N
XLogP1.16
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid
CID 82010370
3-[[(2-aminoacetyl)amino]methyl]pentanoic acid
CID 81072834
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
CID 81066904
3-[[[2-(2,2-dimethylpropanoylamino)acetyl]amino]methyl]-5-methylhexanoic acid
CID 65493920
3-[[(2-acetamidoacetyl)amino]methyl]pentanoic acid
CID 81065753
3-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid
CID 81080106
N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 103771590
(2S)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-3,3-dimethylbutanoic acid
CID 61143118
2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylbutanoic acid
CID 79792553
N-[3-[[(1S)-1-cyanopropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 95637464
3-[(3-methylbutylcarbamoylamino)methyl]pentanoic acid
CID 81072494
4-amino-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-oxobutanoic acid
CID 43171415

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2,2-dimethylpropanoylamino)propanoylamino]methyl]pentanoic acid?
The IUPAC name of 3-[[3-(2,2-dimethylpropanoylamino)propanoylamino]methyl]pentanoic acid (CID 81065507) is 3-[[3-(2,2-dimethylpropanoylamino)propanoylamino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[3-(2,2-dimethylpropanoylamino)propanoylamino]methyl]pentanoic acid?
The canonical SMILES for 3-[[3-(2,2-dimethylpropanoylamino)propanoylamino]methyl]pentanoic acid is CCC(CNC(=O)CCNC(=O)C(C)(C)C)CC(=O)O.
What is the InChIKey of 3-[[3-(2,2-dimethylpropanoylamino)propanoylamino]methyl]pentanoic acid?
The InChIKey is JZFWJYCVXOWCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-5-10(8-12(18)19)9-16-11(17)6-7-15-13(20)14(2,3)4/h10H,5-9H2,1-4H3,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of 3-[[3-(2,2-dimethylpropanoylamino)propanoylamino]methyl]pentanoic acid?
3-[[3-(2,2-dimethylpropanoylamino)propanoylamino]methyl]pentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.16, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2,2-dimethylpropanoylamino)propanoylamino]methyl]pentanoic acid is sourced from PubChem (CID 81065507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).