methyl 2-[2-aminobutanoyl(benzyl)amino]acetate

C14H20N2O3 — CID 54872543

IUPACmethyl 2-[2-aminobutanoyl(benzyl)amino]acetate
SMILESCCC(N)C(=O)N(CC(=O)OC)Cc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-12(15)14(18)16(10-13(17)19-2)9-11-7-5-4-6-8-11/h4-8,12H,3,9-10,15H2,1-2H3
InChIKeyPJZSRULMDCQPHU-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.93
Rot. Bonds6

About methyl 2-[2-aminobutanoyl(benzyl)amino]acetate

methyl 2-[2-aminobutanoyl(benzyl)amino]acetate (PubChem CID 54872543) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-[2-aminobutanoyl(benzyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-aminobutanoyl(benzyl)amino]acetate
PubChem CID54872543
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-[2-aminobutanoyl(benzyl)amino]acetate
SMILESCCC(N)C(=O)N(CC(=O)OC)Cc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-12(15)14(18)16(10-13(17)19-2)9-11-7-5-4-6-8-11/h4-8,12H,3,9-10,15H2,1-2H3
InChIKeyPJZSRULMDCQPHU-UHFFFAOYSA-N
XLogP0.93
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[2-aminobutanoyl(benzyl)amino]acetate 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-amino-4-[benzyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoic acid
CID 64896315
methyl 2-[[(2S)-2-amino-3-methylbutanoyl]-benzylamino]acetate
CID 61163965
ethyl 2-[(2-amino-3-phenylpropanoyl)-benzylamino]acetate
CID 22721819
methyl 2-[benzyl-(2-methyl-4-oxopentanoyl)amino]acetate
CID 11975463
methyl 2-[(2-amino-2-ethylbutanoyl)-benzylamino]acetate
CID 79812574
(2S)-2-amino-N-(3-amino-3-oxopropyl)-N-benzylbutanamide;hydrochloride
CID 119275227
methyl 2-[(3-amino-3-methylbutanoyl)-benzylamino]acetate
CID 64676721
benzyl (3S)-3-amino-7-[benzyl-(2-methoxy-2-oxoethyl)amino]-5-methyl-4,7-dioxo-6-(phenylmethoxycarbonylamino)heptanoate
CID 54423525
methyl 2-[benzyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
CID 59710144
methyl 2-[benzyl(but-2-enoyl)amino]acetate
CID 78919796
2-[(2-amino-4-methylpentanoyl)-benzylamino]acetic acid
CID 70469466
methyl 2-[benzyl-[3-(propan-2-ylamino)propanoyl]amino]acetate
CID 60946952

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-aminobutanoyl(benzyl)amino]acetate?
The IUPAC name of methyl 2-[2-aminobutanoyl(benzyl)amino]acetate (CID 54872543) is methyl 2-[2-aminobutanoyl(benzyl)amino]acetate.
What is the SMILES notation for methyl 2-[2-aminobutanoyl(benzyl)amino]acetate?
The canonical SMILES for methyl 2-[2-aminobutanoyl(benzyl)amino]acetate is CCC(N)C(=O)N(CC(=O)OC)Cc1ccccc1.
What is the InChIKey of methyl 2-[2-aminobutanoyl(benzyl)amino]acetate?
The InChIKey is PJZSRULMDCQPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-12(15)14(18)16(10-13(17)19-2)9-11-7-5-4-6-8-11/h4-8,12H,3,9-10,15H2,1-2H3.
What are the key properties of methyl 2-[2-aminobutanoyl(benzyl)amino]acetate?
methyl 2-[2-aminobutanoyl(benzyl)amino]acetate has a molecular weight of 264.32 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-aminobutanoyl(benzyl)amino]acetate is sourced from PubChem (CID 54872543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).