methyl 2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]acetate

C8H15N3O4 — CID 54222962

IUPACmethyl 2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@H](C)NC(=O)CN
InChIInChI=1S/C8H15N3O4/c1-5(11-6(12)3-9)8(14)10-4-7(13)15-2/h5H,3-4,9H2,1-2H3,(H,10,14)(H,11,12)/t5-/m0/s1
InChIKeyQDWWLCRNXGBXDH-YFKPBYRVSA-N
MW217.22 g/mol
LogP-2.26
Rot. Bonds5

About methyl 2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]acetate

methyl 2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]acetate (PubChem CID 54222962) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl 2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]acetate
PubChem CID54222962
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Namemethyl 2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@H](C)NC(=O)CN
InChIInChI=1S/C8H15N3O4/c1-5(11-6(12)3-9)8(14)10-4-7(13)15-2/h5H,3-4,9H2,1-2H3,(H,10,14)(H,11,12)/t5-/m0/s1
InChIKeyQDWWLCRNXGBXDH-YFKPBYRVSA-N
XLogP-2.26
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-2.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[(2-aminoacetyl)amino]propanoylamino]acetate;2,2,2-trifluoroacetic acid
CID 88813030
methyl 2-[[(2R)-2-[(2-aminoacetyl)amino]-3-[[(2R)-2-[(2-aminoacetyl)amino]-3-[(2-methoxy-2-oxoethyl)amino]-3-oxopropyl]disulfanyl]propanoyl]amino]acetate;dihydrochloride
CID 56602106
methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride
CID 13029724
methyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate
CID 22491961
(2S)-2-[[2-[[2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 71443016
methyl 2-[[2-[2-(decanoylamino)propanoylamino]acetyl]amino]acetate
CID 607811
methyl 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]acetate
CID 65229564
methyl 2-[[(2S)-2-hydroxypropanoyl]amino]acetate
CID 11041006
(2R)-2-[[(2R)-2-[(2-aminoacetyl)amino]propanoyl]amino]propanoic acid
CID 44968172
2-[2-[[2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]acetic acid
CID 18490644
methyl 2-[2-[[2-[[2-[[2-[(2,5-dioxopyrrol-1-yl)methylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoylamino]acetate
CID 170292282
(2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide
CID 138691369

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]acetate?
The IUPAC name of methyl 2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]acetate (CID 54222962) is methyl 2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]acetate?
The canonical SMILES for methyl 2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]acetate is COC(=O)CNC(=O)[C@H](C)NC(=O)CN.
What is the InChIKey of methyl 2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]acetate?
The InChIKey is QDWWLCRNXGBXDH-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H15N3O4/c1-5(11-6(12)3-9)8(14)10-4-7(13)15-2/h5H,3-4,9H2,1-2H3,(H,10,14)(H,11,12)/t5-/m0/s1.
What are the key properties of methyl 2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]acetate?
methyl 2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]acetate has a molecular weight of 217.22 g/mol, XLogP of -2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]acetate is sourced from PubChem (CID 54222962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).