3-[[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]amino]propanoic acid

C14H20N2O3 — CID 43466353

IUPAC3-[[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCC(c1ccccc1)N(C)C(=O)CNCCC(=O)O
InChIInChI=1S/C14H20N2O3/c1-11(12-6-4-3-5-7-12)16(2)13(17)10-15-9-8-14(18)19/h3-7,11,15H,8-10H2,1-2H3,(H,18,19)
InChIKeyYRGVFMPWLSAYCL-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.27
Rot. Bonds7

About 3-[[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]amino]propanoic acid

3-[[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]amino]propanoic acid (PubChem CID 43466353) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]amino]propanoic acid
PubChem CID43466353
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCC(c1ccccc1)N(C)C(=O)CNCCC(=O)O
InChIInChI=1S/C14H20N2O3/c1-11(12-6-4-3-5-7-12)16(2)13(17)10-15-9-8-14(18)19/h3-7,11,15H,8-10H2,1-2H3,(H,18,19)
InChIKeyYRGVFMPWLSAYCL-UHFFFAOYSA-N
XLogP1.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 8772476
3-[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43238287
N-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)acetamide
CID 42928470
methyl(1-phenylethyl)carbamic acid
CID 67062794
2,2-dimethyl-N-[4-[methyl(1-phenylethyl)amino]-4-oxobutyl]propanamide
CID 51075625
3-(3,3-diphenylpropylamino)propanoic acid;hydrochloride
CID 10267968
N-[1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 79282652
6-amino-N,4,4-trimethyl-N-(1-phenylethyl)hexanamide
CID 65290678
3-[1-phenylethyl(propanoyl)amino]propanoic acid
CID 82323265
4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide
CID 81087355
N-methyl-N-(1-phenylethyl)-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 55410573
3-(1-phenylethylamino)propanoic acid
CID 2826777

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]amino]propanoic acid (CID 43466353) is 3-[[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]amino]propanoic acid is CC(c1ccccc1)N(C)C(=O)CNCCC(=O)O.
What is the InChIKey of 3-[[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is YRGVFMPWLSAYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11(12-6-4-3-5-7-12)16(2)13(17)10-15-9-8-14(18)19/h3-7,11,15H,8-10H2,1-2H3,(H,18,19).
What are the key properties of 3-[[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]amino]propanoic acid?
3-[[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 43466353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).