2-[[(2-amino-4-methylpentanoyl)amino]methyl]-4,4-dimethylpentanoic acid

C14H28N2O3 — CID 107475476

IUPAC2-[[(2-amino-4-methylpentanoyl)amino]methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)CC(N)C(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-9(2)6-11(15)12(17)16-8-10(13(18)19)7-14(3,4)5/h9-11H,6-8,15H2,1-5H3,(H,16,17)(H,18,19)
InChIKeyMEAHVYHFCBVPND-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.61
Rot. Bonds7

About 2-[[(2-amino-4-methylpentanoyl)amino]methyl]-4,4-dimethylpentanoic acid

2-[[(2-amino-4-methylpentanoyl)amino]methyl]-4,4-dimethylpentanoic acid (PubChem CID 107475476) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[[(2-amino-4-methylpentanoyl)amino]methyl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[[(2-amino-4-methylpentanoyl)amino]methyl]-4,4-dimethylpentanoic acid
PubChem CID107475476
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[[(2-amino-4-methylpentanoyl)amino]methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)CC(N)C(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-9(2)6-11(15)12(17)16-8-10(13(18)19)7-14(3,4)5/h9-11H,6-8,15H2,1-5H3,(H,16,17)(H,18,19)
InChIKeyMEAHVYHFCBVPND-UHFFFAOYSA-N
XLogP1.61
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977
(2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride
CID 119709105
2-[[2-(aminomethyl)butanoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107475516
(2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid
CID 18635634
2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylpentanamide
CID 65107509
3-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]-5-methylhexanoic acid
CID 104903629
2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107474087
2-[(2,2-dimethylpropanoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473759
(2R)-2-amino-N-(2-hydroxybutyl)-4-methylpentanamide
CID 104904032
(2S)-2-amino-N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-4-methylpentanamide
CID 88667653
2-[(2-aminobutanoylamino)methyl]butanoic acid
CID 65224441
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide
CID 119817789

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-4-methylpentanoyl)amino]methyl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[[(2-amino-4-methylpentanoyl)amino]methyl]-4,4-dimethylpentanoic acid (CID 107475476) is 2-[[(2-amino-4-methylpentanoyl)amino]methyl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[[(2-amino-4-methylpentanoyl)amino]methyl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[[(2-amino-4-methylpentanoyl)amino]methyl]-4,4-dimethylpentanoic acid is CC(C)CC(N)C(=O)NCC(CC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[(2-amino-4-methylpentanoyl)amino]methyl]-4,4-dimethylpentanoic acid?
The InChIKey is MEAHVYHFCBVPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-9(2)6-11(15)12(17)16-8-10(13(18)19)7-14(3,4)5/h9-11H,6-8,15H2,1-5H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[(2-amino-4-methylpentanoyl)amino]methyl]-4,4-dimethylpentanoic acid?
2-[[(2-amino-4-methylpentanoyl)amino]methyl]-4,4-dimethylpentanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-4-methylpentanoyl)amino]methyl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 107475476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).