methyl 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]propanoate

C10H20N2O3 — CID 65228791

IUPACmethyl 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)C(CN)C(C)C
InChIInChI=1S/C10H20N2O3/c1-7(2)8(6-11)10(14)12-5-4-9(13)15-3/h7-8H,4-6,11H2,1-3H3,(H,12,14)
InChIKeyWWHVBNLZQFTDPW-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.10
Rot. Bonds6

About methyl 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]propanoate

methyl 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]propanoate (PubChem CID 65228791) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]propanoate
PubChem CID65228791
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)C(CN)C(C)C
InChIInChI=1S/C10H20N2O3/c1-7(2)8(6-11)10(14)12-5-4-9(13)15-3/h7-8H,4-6,11H2,1-3H3,(H,12,14)
InChIKeyWWHVBNLZQFTDPW-UHFFFAOYSA-N
XLogP-0.10
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]acetate
CID 65229564
2-(aminomethyl)-N-(3-aminopropyl)-3-methylbutanamide
CID 65229477
4-[[2-(aminomethyl)-3-methylbutanoyl]amino]butanoic acid
CID 65227720
methyl 3-[2-(aminomethyl)butanoylamino]propanoate
CID 65228741
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82786905
methyl 3-[(4-amino-3-methylbutanoyl)amino]propanoate
CID 81087612
2-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylbutanamide
CID 106235067
methyl 3-[(2-aminoacetyl)amino]propanoate
CID 60672581
methyl 3-(2-aminobutanoylamino)propanoate
CID 61252896
2-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide
CID 106310631
3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid
CID 65228523
2-(aminomethyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-methylbutanamide
CID 114127194

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]propanoate (CID 65228791) is methyl 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]propanoate is COC(=O)CCNC(=O)C(CN)C(C)C.
What is the InChIKey of methyl 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]propanoate?
The InChIKey is WWHVBNLZQFTDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)8(6-11)10(14)12-5-4-9(13)15-3/h7-8H,4-6,11H2,1-3H3,(H,12,14).
What are the key properties of methyl 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]propanoate?
methyl 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]propanoate has a molecular weight of 216.28 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]propanoate is sourced from PubChem (CID 65228791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).