methyl (2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoate

C6H12N2O4 — CID 21118178

IUPACmethyl (2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoate
SMILESCOC(=O)[C@H](CO)NC(=O)CN
InChIInChI=1S/C6H12N2O4/c1-12-6(11)4(3-9)8-5(10)2-7/h4,9H,2-3,7H2,1H3,(H,8,10)/t4-/m0/s1
InChIKeyIZKCPSKYPGYKRF-BYPYZUCNSA-N
MW176.17 g/mol
LogP-2.40
Rot. Bonds4

About methyl (2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoate

methyl (2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoate (PubChem CID 21118178) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is methyl (2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoate
PubChem CID21118178
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Namemethyl (2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoate
SMILESCOC(=O)[C@H](CO)NC(=O)CN
InChIInChI=1S/C6H12N2O4/c1-12-6(11)4(3-9)8-5(10)2-7/h4,9H,2-3,7H2,1H3,(H,8,10)/t4-/m0/s1
InChIKeyIZKCPSKYPGYKRF-BYPYZUCNSA-N
XLogP-2.40
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-2.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Acetylserine
CID 65249
L-Serylglycine
CID 7009644
Ala-Ser
CID 1549433
Glycylserine
CID 102466
Alanylthreonine
CID 6427004
N-Acetyl-DL-serine
CID 352294
N-(2-Amino-1-hydroxyethylidene)threonine
CID 351980
Serine, glycyl-
CID 73086
Seryl-alanine
CID 7009579
(2S,3S)-2-{[(2S)-2-azaniumylpropanoyl]amino}-3-hydroxybutanoate
CID 7006473
2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]acetate
CID 7009643
Thr-Ser
CID 7016065

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoate?
The IUPAC name of methyl (2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoate (CID 21118178) is methyl (2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl (2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoate?
The canonical SMILES for methyl (2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoate is COC(=O)[C@H](CO)NC(=O)CN.
What is the InChIKey of methyl (2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoate?
The InChIKey is IZKCPSKYPGYKRF-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H12N2O4/c1-12-6(11)4(3-9)8-5(10)2-7/h4,9H,2-3,7H2,1H3,(H,8,10)/t4-/m0/s1.
What are the key properties of methyl (2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoate?
methyl (2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoate has a molecular weight of 176.17 g/mol, XLogP of -2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoate is sourced from PubChem (CID 21118178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).