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

C9H18N2O3 — CID 65229564

IUPACmethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)C(CN)C(C)C
InChIInChI=1S/C9H18N2O3/c1-6(2)7(4-10)9(13)11-5-8(12)14-3/h6-7H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyXMEFSAZMGZKXPR-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.49
Rot. Bonds5

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

methyl 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]acetate (PubChem CID 65229564) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]acetate
PubChem CID65229564
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)C(CN)C(C)C
InChIInChI=1S/C9H18N2O3/c1-6(2)7(4-10)9(13)11-5-8(12)14-3/h6-7H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyXMEFSAZMGZKXPR-UHFFFAOYSA-N
XLogP-0.49
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]propanoate
CID 65228791
methyl 2-[[(2S)-2-hydroxypropanoyl]amino]acetate
CID 11041006
2-(aminomethyl)-N-(3-aminopropyl)-3-methylbutanamide
CID 65229477
methyl 2-(1-aminopropan-2-ylamino)acetate
CID 88770790
methyl 2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]acetate
CID 54222962
3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid
CID 65228523
methyl 2-[[(2S)-2-(2,2-dimethylpropanoylamino)-3-methylbutanoyl]amino]acetate
CID 130396779
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82786905
2-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylbutanamide
CID 106235067
4-[[2-(aminomethyl)-3-methylbutanoyl]amino]butanoic acid
CID 65227720
2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
CID 113293899
2-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide
CID 106310631

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]acetate (CID 65229564) is methyl 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]acetate is COC(=O)CNC(=O)C(CN)C(C)C.
What is the InChIKey of methyl 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]acetate?
The InChIKey is XMEFSAZMGZKXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-6(2)7(4-10)9(13)11-5-8(12)14-3/h6-7H,4-5,10H2,1-3H3,(H,11,13).
What are the key properties of methyl 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]acetate?
methyl 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]acetate has a molecular weight of 202.25 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]acetate is sourced from PubChem (CID 65229564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).