3-[[(2R)-2-(carboxymethylamino)propanoyl]amino]propanoic acid

C8H14N2O5 — CID 88998079

IUPAC3-[[(2R)-2-(carboxymethylamino)propanoyl]amino]propanoic acid
SMILESC[C@@H](NCC(=O)O)C(=O)NCCC(=O)O
InChIInChI=1S/C8H14N2O5/c1-5(10-4-7(13)14)8(15)9-3-2-6(11)12/h5,10H,2-4H2,1H3,(H,9,15)(H,11,12)(H,13,14)/t5-/m1/s1
InChIKeyVGKXLPCPJUGEJW-RXMQYKEDSA-N
MW218.21 g/mol
LogP-1.36
Rot. Bonds7

About 3-[[(2R)-2-(carboxymethylamino)propanoyl]amino]propanoic acid

3-[[(2R)-2-(carboxymethylamino)propanoyl]amino]propanoic acid (PubChem CID 88998079) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-[[(2R)-2-(carboxymethylamino)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(2R)-2-(carboxymethylamino)propanoyl]amino]propanoic acid
PubChem CID88998079
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name3-[[(2R)-2-(carboxymethylamino)propanoyl]amino]propanoic acid
SMILESC[C@@H](NCC(=O)O)C(=O)NCCC(=O)O
InChIInChI=1S/C8H14N2O5/c1-5(10-4-7(13)14)8(15)9-3-2-6(11)12/h5,10H,2-4H2,1H3,(H,9,15)(H,11,12)(H,13,14)/t5-/m1/s1
InChIKeyVGKXLPCPJUGEJW-RXMQYKEDSA-N
XLogP-1.36
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43466719
2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid
CID 43466197
3-[2-[[1-(carboxymethylamino)-1-oxopropan-2-yl]disulfanyl]propanoylamino]propanoic acid
CID 130279737
3-[[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid
CID 146653249
bis(3-(2-methylpropanoylamino)propanoic acid);tetrahydrate
CID 174949925
2-(carboxymethylamino)propanoic acid
CID 2764308
3-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]propanoic acid
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3-[2-(dimethylamino)propanoylamino]propanoic acid
CID 126638716
3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 43466733
3-[[3-[[3-(2-carboxyethylamino)-2-methyl-3-oxopropyl]diazenyl]-2-methylpropanoyl]amino]propanoic acid
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3-(2-carboxyethylcarbamoyl)-4-methylpentanoic acid
CID 10353830

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-(carboxymethylamino)propanoyl]amino]propanoic acid?
The IUPAC name of 3-[[(2R)-2-(carboxymethylamino)propanoyl]amino]propanoic acid (CID 88998079) is 3-[[(2R)-2-(carboxymethylamino)propanoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(2R)-2-(carboxymethylamino)propanoyl]amino]propanoic acid?
The canonical SMILES for 3-[[(2R)-2-(carboxymethylamino)propanoyl]amino]propanoic acid is C[C@@H](NCC(=O)O)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[(2R)-2-(carboxymethylamino)propanoyl]amino]propanoic acid?
The InChIKey is VGKXLPCPJUGEJW-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H14N2O5/c1-5(10-4-7(13)14)8(15)9-3-2-6(11)12/h5,10H,2-4H2,1H3,(H,9,15)(H,11,12)(H,13,14)/t5-/m1/s1.
What are the key properties of 3-[[(2R)-2-(carboxymethylamino)propanoyl]amino]propanoic acid?
3-[[(2R)-2-(carboxymethylamino)propanoyl]amino]propanoic acid has a molecular weight of 218.21 g/mol, XLogP of -1.36, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-(carboxymethylamino)propanoyl]amino]propanoic acid is sourced from PubChem (CID 88998079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).