2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-3-methylbutanoic acid

C14H20N2O3 — CID 65224075

IUPAC2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)[C@H](N)c1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-9(2)11(14(18)19)8-16-13(17)12(15)10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19)/t11?,12-/m1/s1
InChIKeyGOUYFGPSWBRJRJ-PIJUOVFKSA-N
MW264.32 g/mol
LogP1.16
Rot. Bonds6

About 2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-3-methylbutanoic acid

2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-3-methylbutanoic acid (PubChem CID 65224075) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-3-methylbutanoic acid
PubChem CID65224075
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)[C@H](N)c1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-9(2)11(14(18)19)8-16-13(17)12(15)10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19)/t11?,12-/m1/s1
InChIKeyGOUYFGPSWBRJRJ-PIJUOVFKSA-N
XLogP1.16
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
CID 93083385
2-[[(3-amino-2-phenylpropanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224383
2-amino-N-(2-methylbutyl)-2-phenylacetamide
CID 62693520
2-[[(2-methoxy-2-phenylacetyl)amino]methyl]-3-methylbutanoic acid
CID 65219999
(2R)-2-amino-N-[2-(dimethylamino)propyl]-2-phenylacetamide
CID 61156707
4-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanoic acid
CID 81073197
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174922
2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid
CID 79011963
(2S)-2-amino-N-(2,3-dihydroxypropyl)-2-phenylacetamide
CID 104898061
(2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide
CID 104898437
5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid
CID 103870672

Frequently Asked Questions

What is the IUPAC name of 2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-3-methylbutanoic acid (CID 65224075) is 2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-3-methylbutanoic acid is CC(C)C(CNC(=O)[C@H](N)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-3-methylbutanoic acid?
The InChIKey is GOUYFGPSWBRJRJ-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)11(14(18)19)8-16-13(17)12(15)10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19)/t11?,12-/m1/s1.
What are the key properties of 2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-3-methylbutanoic acid?
2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-3-methylbutanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 65224075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).