2-(2,6-dimethylheptan-4-ylamino)propanoic acid

C12H25NO2 — CID 61499456

IUPAC2-(2,6-dimethylheptan-4-ylamino)propanoic acid
SMILESCC(C)CC(CC(C)C)NC(C)C(=O)O
InChIInChI=1S/C12H25NO2/c1-8(2)6-11(7-9(3)4)13-10(5)12(14)15/h8-11,13H,6-7H2,1-5H3,(H,14,15)
InChIKeyYPCDXKMQZINJRG-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.51
Rot. Bonds7

About 2-(2,6-dimethylheptan-4-ylamino)propanoic acid

2-(2,6-dimethylheptan-4-ylamino)propanoic acid (PubChem CID 61499456) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(2,6-dimethylheptan-4-ylamino)propanoic acid.

Molecular Properties

Compound Name2-(2,6-dimethylheptan-4-ylamino)propanoic acid
PubChem CID61499456
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-(2,6-dimethylheptan-4-ylamino)propanoic acid
SMILESCC(C)CC(CC(C)C)NC(C)C(=O)O
InChIInChI=1S/C12H25NO2/c1-8(2)6-11(7-9(3)4)13-10(5)12(14)15/h8-11,13H,6-7H2,1-5H3,(H,14,15)
InChIKeyYPCDXKMQZINJRG-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(1,3-dihydroxypropan-2-ylamino)propanoic acid
CID 139900903
(2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid
CID 10953819
2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide
CID 61247308
2-(2,4-dimethylpentanoylamino)propanoic acid
CID 90967232
2-[[(1S)-1-carboxyethyl]amino]propanedioic acid
CID 87604666
2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutyl)propanamide
CID 61247605
N-tert-butyl-2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide
CID 61246884
(2R)-2-[[(2S)-butan-2-yl]amino]propanoic acid
CID 93054816
2-(1-carboxyethylamino)-3-methylpentanoic acid
CID 155253575
(2S)-2-[[4-methyl-2-(1-sulfanylethyl)pentanoyl]amino]propanoic acid
CID 88613565
2-[[carboxy(hydroxy)methyl]amino]propanoic acid
CID 21195363
trisodium;2-(1-carboxyethylamino)propanedioic acid;hydride
CID 174988964

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylheptan-4-ylamino)propanoic acid?
The IUPAC name of 2-(2,6-dimethylheptan-4-ylamino)propanoic acid (CID 61499456) is 2-(2,6-dimethylheptan-4-ylamino)propanoic acid.
What is the SMILES notation for 2-(2,6-dimethylheptan-4-ylamino)propanoic acid?
The canonical SMILES for 2-(2,6-dimethylheptan-4-ylamino)propanoic acid is CC(C)CC(CC(C)C)NC(C)C(=O)O.
What is the InChIKey of 2-(2,6-dimethylheptan-4-ylamino)propanoic acid?
The InChIKey is YPCDXKMQZINJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-8(2)6-11(7-9(3)4)13-10(5)12(14)15/h8-11,13H,6-7H2,1-5H3,(H,14,15).
What are the key properties of 2-(2,6-dimethylheptan-4-ylamino)propanoic acid?
2-(2,6-dimethylheptan-4-ylamino)propanoic acid has a molecular weight of 215.34 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylheptan-4-ylamino)propanoic acid is sourced from PubChem (CID 61499456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).