methyl 2-[(3-amino-2-methylpropanoyl)amino]propanoate

C8H16N2O3 — CID 62669479

IUPACmethyl 2-[(3-amino-2-methylpropanoyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)C(C)CN
InChIInChI=1S/C8H16N2O3/c1-5(4-9)7(11)10-6(2)8(12)13-3/h5-6H,4,9H2,1-3H3,(H,10,11)
InChIKeyCUGFUWOTLDARQV-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.74
Rot. Bonds4

About methyl 2-[(3-amino-2-methylpropanoyl)amino]propanoate

methyl 2-[(3-amino-2-methylpropanoyl)amino]propanoate (PubChem CID 62669479) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is methyl 2-[(3-amino-2-methylpropanoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3-amino-2-methylpropanoyl)amino]propanoate
PubChem CID62669479
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Namemethyl 2-[(3-amino-2-methylpropanoyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)C(C)CN
InChIInChI=1S/C8H16N2O3/c1-5(4-9)7(11)10-6(2)8(12)13-3/h5-6H,4,9H2,1-3H3,(H,10,11)
InChIKeyCUGFUWOTLDARQV-UHFFFAOYSA-N
XLogP-0.74
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(3-amino-2-methylpropanoyl)amino]propanoate 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-(2-chloropropanoylamino)propanoate
CID 60780321
methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate
CID 155460298
methyl (2R)-2-[[(2R)-2-[[(2R)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoate
CID 36688580
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropanamide
CID 107218503
3-amino-4-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 64895300
methyl (2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]propanoate
CID 28963905
methyl (2R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]propanoate
CID 28963903
methyl 2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetate
CID 62668946
methyl (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoate
CID 57097611
methyl 2-(3-methoxyprop-1-en-2-ylamino)propanoate
CID 166967471
3-[(3-amino-2-methylpropanoyl)amino]butanoic acid
CID 62670881
methyl (2S)-2-[(5-amino-4-methylpentanoyl)amino]propanoate
CID 82011707

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-amino-2-methylpropanoyl)amino]propanoate?
The IUPAC name of methyl 2-[(3-amino-2-methylpropanoyl)amino]propanoate (CID 62669479) is methyl 2-[(3-amino-2-methylpropanoyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(3-amino-2-methylpropanoyl)amino]propanoate?
The canonical SMILES for methyl 2-[(3-amino-2-methylpropanoyl)amino]propanoate is COC(=O)C(C)NC(=O)C(C)CN.
What is the InChIKey of methyl 2-[(3-amino-2-methylpropanoyl)amino]propanoate?
The InChIKey is CUGFUWOTLDARQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(4-9)7(11)10-6(2)8(12)13-3/h5-6H,4,9H2,1-3H3,(H,10,11).
What are the key properties of methyl 2-[(3-amino-2-methylpropanoyl)amino]propanoate?
methyl 2-[(3-amino-2-methylpropanoyl)amino]propanoate has a molecular weight of 188.23 g/mol, XLogP of -0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-amino-2-methylpropanoyl)amino]propanoate is sourced from PubChem (CID 62669479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).