methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2-methylpropanoate

C9H17N3O4 — CID 60851549

IUPACmethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)CNC(=O)CN
InChIInChI=1S/C9H17N3O4/c1-9(2,8(15)16-3)12-7(14)5-11-6(13)4-10/h4-5,10H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyYYHZPBWNWAKOEJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP-1.87
Rot. Bonds5

About methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2-methylpropanoate

methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2-methylpropanoate (PubChem CID 60851549) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2-methylpropanoate
PubChem CID60851549
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Namemethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)CNC(=O)CN
InChIInChI=1S/C9H17N3O4/c1-9(2,8(15)16-3)12-7(14)5-11-6(13)4-10/h4-5,10H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyYYHZPBWNWAKOEJ-UHFFFAOYSA-N
XLogP-1.87
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2-methylpropanoate 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

methyl 2-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoate
CID 60841662
methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride
CID 13029724
2-amino-N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]acetamide
CID 107852760
tert-butyl 2-[(2-aminoacetyl)amino]acetate
CID 15403805
methyl 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylpropanoate
CID 115431856
ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate
CID 7020070
bromo 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2,2-dimethylbutanoate
CID 175344037
2-amino-N-[2-[3-[(2-methylpropan-2-yl)oxy]propylamino]-2-oxoethyl]acetamide
CID 147267401
methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate
CID 60851923
N-tert-butyl-2-[(2-methoxyacetyl)amino]acetamide
CID 71944236
methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpropanoate
CID 79527399
azanium 2-[(2-aminoacetyl)amino]acetate
CID 172849097

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2-methylpropanoate (CID 60851549) is methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)CNC(=O)CN.
What is the InChIKey of methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2-methylpropanoate?
The InChIKey is YYHZPBWNWAKOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-9(2,8(15)16-3)12-7(14)5-11-6(13)4-10/h4-5,10H2,1-3H3,(H,11,13)(H,12,14).
What are the key properties of methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2-methylpropanoate?
methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2-methylpropanoate has a molecular weight of 231.25 g/mol, XLogP of -1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2-methylpropanoate is sourced from PubChem (CID 60851549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).