5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid

C14H26N2O4 — CID 82010370

IUPAC5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-10(5-6-12(18)19)9-16-11(17)7-8-15-13(20)14(2,3)4/h10H,5-9H2,1-4H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyPBIXEYWDGASXQJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.16
Rot. Bonds8

About 5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid

5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid (PubChem CID 82010370) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid
PubChem CID82010370
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-10(5-6-12(18)19)9-16-11(17)7-8-15-13(20)14(2,3)4/h10H,5-9H2,1-4H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyPBIXEYWDGASXQJ-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

4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
CID 82014412
3-[[3-(2,2-dimethylpropanoylamino)propanoylamino]methyl]pentanoic acid
CID 81065507
N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 103771590
5-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methylpentanoic acid
CID 82688450
5-(6-acetamidohexanoylamino)-4-methylpentanoic acid
CID 82682930
5-(methoxycarbonylamino)-4-methylpentanoic acid
CID 82017023
N-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 119382533
4-[3-(2,2-dimethylpropanoylamino)propanoylamino]-5-phenylpentanoic acid
CID 120546957
4-(3-acetamidopropanoylamino)-3-methylbutanoic acid
CID 81063631
N-[3-[(3-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 115884650
5-[(2,2-difluoroacetyl)amino]-4-methylpentanoic acid
CID 103513451
(2S)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-3,3-dimethylbutanoic acid
CID 61143118

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid?
The IUPAC name of 5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid (CID 82010370) is 5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid?
The canonical SMILES for 5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)CCNC(=O)C(C)(C)C.
What is the InChIKey of 5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid?
The InChIKey is PBIXEYWDGASXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(5-6-12(18)19)9-16-11(17)7-8-15-13(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 5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid?
5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic 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 5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 82010370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).