4,4-dimethyl-2-[[3-(propan-2-ylamino)propanoylamino]methyl]pentanoic acid

C14H28N2O3 — CID 107475566

IUPAC4,4-dimethyl-2-[[3-(propan-2-ylamino)propanoylamino]methyl]pentanoic acid
SMILESCC(C)NCCC(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-10(2)15-7-6-12(17)16-9-11(13(18)19)8-14(3,4)5/h10-11,15H,6-9H2,1-5H3,(H,16,17)(H,18,19)
InChIKeyULKVPKYXTFJLLG-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.63
Rot. Bonds8

About 4,4-dimethyl-2-[[3-(propan-2-ylamino)propanoylamino]methyl]pentanoic acid

4,4-dimethyl-2-[[3-(propan-2-ylamino)propanoylamino]methyl]pentanoic acid (PubChem CID 107475566) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 4,4-dimethyl-2-[[3-(propan-2-ylamino)propanoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[[3-(propan-2-ylamino)propanoylamino]methyl]pentanoic acid
PubChem CID107475566
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name4,4-dimethyl-2-[[3-(propan-2-ylamino)propanoylamino]methyl]pentanoic acid
SMILESCC(C)NCCC(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-10(2)15-7-6-12(17)16-9-11(13(18)19)8-14(3,4)5/h10-11,15H,6-9H2,1-5H3,(H,16,17)(H,18,19)
InChIKeyULKVPKYXTFJLLG-UHFFFAOYSA-N
XLogP1.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-2-[(pentanoylamino)methyl]pentanoic acid
CID 107474192
2-[[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474513
2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107474087
4,4-dimethyl-2-[(2-methylsulfonylethylcarbamoylamino)methyl]pentanoic acid
CID 107474064
2-[[3-(2,2-difluoroethoxy)propanoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107473822
2-[(2,2-dimethylpropanoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473759
4,4-dimethyl-2-[[3-(oxan-2-yl)propanoylamino]methyl]pentanoic acid
CID 107474137
2-[[(2-amino-4-methylpentanoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475476
2-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 106238825
(2S)-2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 107836313
2-[(2-methoxyethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473771
(2R)-4,4-dimethyl-2-[3-(4-methylpentylamino)-3-oxopropyl]pentanoic acid
CID 167701005

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[[3-(propan-2-ylamino)propanoylamino]methyl]pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-[[3-(propan-2-ylamino)propanoylamino]methyl]pentanoic acid (CID 107475566) is 4,4-dimethyl-2-[[3-(propan-2-ylamino)propanoylamino]methyl]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-[[3-(propan-2-ylamino)propanoylamino]methyl]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-[[3-(propan-2-ylamino)propanoylamino]methyl]pentanoic acid is CC(C)NCCC(=O)NCC(CC(C)(C)C)C(=O)O.
What is the InChIKey of 4,4-dimethyl-2-[[3-(propan-2-ylamino)propanoylamino]methyl]pentanoic acid?
The InChIKey is ULKVPKYXTFJLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-10(2)15-7-6-12(17)16-9-11(13(18)19)8-14(3,4)5/h10-11,15H,6-9H2,1-5H3,(H,16,17)(H,18,19).
What are the key properties of 4,4-dimethyl-2-[[3-(propan-2-ylamino)propanoylamino]methyl]pentanoic acid?
4,4-dimethyl-2-[[3-(propan-2-ylamino)propanoylamino]methyl]pentanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.63, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[[3-(propan-2-ylamino)propanoylamino]methyl]pentanoic acid is sourced from PubChem (CID 107475566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).