2-(carboxymethylamino)propanoic acid

C5H9NO4 — CID 2764308

IUPAC2-(carboxymethylamino)propanoic acid
SMILESCC(NCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4/c1-3(5(9)10)6-2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeyXYUPSBLFPTWJLC-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.87
Rot. Bonds4

About 2-(carboxymethylamino)propanoic acid

2-(carboxymethylamino)propanoic acid (PubChem CID 2764308) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is 2-(carboxymethylamino)propanoic acid.

Molecular Properties

Compound Name2-(carboxymethylamino)propanoic acid
PubChem CID2764308
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name2-(carboxymethylamino)propanoic acid
SMILESCC(NCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4/c1-3(5(9)10)6-2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeyXYUPSBLFPTWJLC-UHFFFAOYSA-N
XLogP-0.87
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid
CID 43466197
(2R)-2-(ethylamino)propanoic acid;hydrochloride
CID 87428202
(2R)-2-(sulfanylmethylamino)propanoic acid
CID 54134346
3-[[(2R)-2-(carboxymethylamino)propanoyl]amino]propanoic acid
CID 88998079
2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466192
2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]acetic acid
CID 163971647
(2S)-2-[[2-(azocan-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194502
2-[1-(dimethylamino)propan-2-ylamino]acetic acid
CID 82937754
(2S)-2-(carboxymethylamino)-4-methylpentanoic acid
CID 15691184
2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]propanoic acid
CID 43467117
(2S)-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]propanoic acid
CID 83193774
(2S)-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanoic acid
CID 83194407

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethylamino)propanoic acid?
The IUPAC name of 2-(carboxymethylamino)propanoic acid (CID 2764308) is 2-(carboxymethylamino)propanoic acid.
What is the SMILES notation for 2-(carboxymethylamino)propanoic acid?
The canonical SMILES for 2-(carboxymethylamino)propanoic acid is CC(NCC(=O)O)C(=O)O.
What is the InChIKey of 2-(carboxymethylamino)propanoic acid?
The InChIKey is XYUPSBLFPTWJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c1-3(5(9)10)6-2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-(carboxymethylamino)propanoic acid?
2-(carboxymethylamino)propanoic acid has a molecular weight of 147.13 g/mol, XLogP of -0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethylamino)propanoic acid is sourced from PubChem (CID 2764308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).