3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid

C14H20N2O3 — CID 115339893

IUPAC3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid
SMILESCC(C)NCC(=O)Nc1cccc(CCC(=O)O)c1
InChIInChI=1S/C14H20N2O3/c1-10(2)15-9-13(17)16-12-5-3-4-11(8-12)6-7-14(18)19/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyAKSHAEWMXPXUIM-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.64
Rot. Bonds7

About 3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid

3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid (PubChem CID 115339893) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid
PubChem CID115339893
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid
SMILESCC(C)NCC(=O)Nc1cccc(CCC(=O)O)c1
InChIInChI=1S/C14H20N2O3/c1-10(2)15-9-13(17)16-12-5-3-4-11(8-12)6-7-14(18)19/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyAKSHAEWMXPXUIM-UHFFFAOYSA-N
XLogP1.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[4-(propan-2-ylamino)butanoylamino]phenyl]propanoic acid
CID 115339859
3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid
CID 28759682
3-[3-(pentanoylamino)phenyl]propanoic acid
CID 28759634
3-[3-(propan-2-yloxycarbonylamino)phenyl]propanoic acid
CID 113290372
3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid
CID 115339894
3-[3-(3-methylsulfonylpropanoylamino)phenyl]propanoic acid
CID 115339297
3-[3-[[2-(cyclohexanecarbonylamino)acetyl]amino]phenyl]propanoic acid
CID 120613844
3-[3-[[2-(carboxymethylsulfanyl)acetyl]amino]phenyl]propanoic acid
CID 120613796
3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817579
3-[3-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]phenyl]propanoic acid
CID 120538125
3-[3-(3-cyclobutylpropanoylamino)phenyl]propanoic acid
CID 120538120
3-[3-[(3-propan-2-yloxyphenyl)carbamoylamino]phenyl]propanoic acid
CID 122094772

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid?
The IUPAC name of 3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid (CID 115339893) is 3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid is CC(C)NCC(=O)Nc1cccc(CCC(=O)O)c1.
What is the InChIKey of 3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid?
The InChIKey is AKSHAEWMXPXUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2)15-9-13(17)16-12-5-3-4-11(8-12)6-7-14(18)19/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid?
3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 115339893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).