(2R)-2-[2-[benzyl(methyl)amino]propanoylamino]propanoic acid

C14H20N2O3 — CID 119369701

IUPAC(2R)-2-[2-[benzyl(methyl)amino]propanoylamino]propanoic acid
SMILESCC(C(=O)N[C@H](C)C(=O)O)N(C)Cc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-10(14(18)19)15-13(17)11(2)16(3)9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,15,17)(H,18,19)/t10-,11?/m1/s1
InChIKeyYVFYFAXYAHQAMY-NFJWQWPMSA-N
MW264.32 g/mol
LogP1.10
Rot. Bonds6

About (2R)-2-[2-[benzyl(methyl)amino]propanoylamino]propanoic acid

(2R)-2-[2-[benzyl(methyl)amino]propanoylamino]propanoic acid (PubChem CID 119369701) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2R)-2-[2-[benzyl(methyl)amino]propanoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-[benzyl(methyl)amino]propanoylamino]propanoic acid
PubChem CID119369701
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2R)-2-[2-[benzyl(methyl)amino]propanoylamino]propanoic acid
SMILESCC(C(=O)N[C@H](C)C(=O)O)N(C)Cc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-10(14(18)19)15-13(17)11(2)16(3)9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,15,17)(H,18,19)/t10-,11?/m1/s1
InChIKeyYVFYFAXYAHQAMY-NFJWQWPMSA-N
XLogP1.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(N-methylanilino)propanoylamino]propanoic acid
CID 82041910
(2R)-2-[benzyl(methyl)amino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
CID 32727461
(2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide
CID 9274676
(2S)-2-[[amino(benzyl)carbamoyl]amino]propanoic acid
CID 139928126
N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide
CID 18070950
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
(2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide
CID 8516208
2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 42911817
2-[acetyl(benzyl)amino]propanoic acid
CID 11053213
(2S)-2-[acetyl(benzyl)amino]propanoic acid
CID 39244624
(2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide
CID 100638766
2-[(3-aminophenyl)methyl-methylamino]-N-pentan-3-ylpropanamide
CID 43458006

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[benzyl(methyl)amino]propanoylamino]propanoic acid?
The IUPAC name of (2R)-2-[2-[benzyl(methyl)amino]propanoylamino]propanoic acid (CID 119369701) is (2R)-2-[2-[benzyl(methyl)amino]propanoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[2-[benzyl(methyl)amino]propanoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[2-[benzyl(methyl)amino]propanoylamino]propanoic acid is CC(C(=O)N[C@H](C)C(=O)O)N(C)Cc1ccccc1.
What is the InChIKey of (2R)-2-[2-[benzyl(methyl)amino]propanoylamino]propanoic acid?
The InChIKey is YVFYFAXYAHQAMY-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(14(18)19)15-13(17)11(2)16(3)9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,15,17)(H,18,19)/t10-,11?/m1/s1.
What are the key properties of (2R)-2-[2-[benzyl(methyl)amino]propanoylamino]propanoic acid?
(2R)-2-[2-[benzyl(methyl)amino]propanoylamino]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[benzyl(methyl)amino]propanoylamino]propanoic acid is sourced from PubChem (CID 119369701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).