methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate

C7H14N2O4 — CID 155460298

IUPACmethyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)[C@H](N)CO
InChIInChI=1S/C7H14N2O4/c1-4(7(12)13-2)9-6(11)5(8)3-10/h4-5,10H,3,8H2,1-2H3,(H,9,11)/t4-,5-/m1/s1
InChIKeyVGRRCGOKYUBRQO-RFZPGFLSSA-N
MW190.20 g/mol
LogP-2.02
Rot. Bonds4

About methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate

methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate (PubChem CID 155460298) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate
PubChem CID155460298
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Namemethyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)[C@H](N)CO
InChIInChI=1S/C7H14N2O4/c1-4(7(12)13-2)9-6(11)5(8)3-10/h4-5,10H,3,8H2,1-2H3,(H,9,11)/t4-,5-/m1/s1
InChIKeyVGRRCGOKYUBRQO-RFZPGFLSSA-N
XLogP-2.02
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate with MolForge

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Related Compounds

3-amino-4-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 64895300
methyl (2S)-2-amino-3-hydroxypropanoate
CID 2723731
methyl 2-[(3-amino-2-methylpropanoyl)amino]propanoate
CID 62669479
methyl (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoate
CID 57097611
methyl 2-amino-3-hydroxypropanoate;hydrochloride
CID 517373
2-[2-[(2-amino-3-hydroxypropanoyl)amino]propanoylamino]-3-methylbutanoic acid
CID 18223804
methyl 2-(2-chloropropanoylamino)propanoate
CID 60780321
methyl 2-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119291012
2-amino-3-hydroxy-N-(2-methoxyethyl)propanamide
CID 59658304
5-amino-2-[2-[(2-amino-3-hydroxypropanoyl)amino]propanoylamino]-5-oxopentanoic acid
CID 18223791
methyl (2R)-2-[[(2R)-2-[[(2R)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoate
CID 36688580
(2S)-2-amino-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxypropanamide
CID 138624808

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate?
The IUPAC name of methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate (CID 155460298) is methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate?
The canonical SMILES for methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate is COC(=O)[C@@H](C)NC(=O)[C@H](N)CO.
What is the InChIKey of methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate?
The InChIKey is VGRRCGOKYUBRQO-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-4(7(12)13-2)9-6(11)5(8)3-10/h4-5,10H,3,8H2,1-2H3,(H,9,11)/t4-,5-/m1/s1.
What are the key properties of methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate?
methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate has a molecular weight of 190.20 g/mol, XLogP of -2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]propanoate is sourced from PubChem (CID 155460298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).