2-[[carboxy(hydroxy)methyl]amino]propanoic acid

C5H9NO5 — CID 21195363

IUPAC2-[[carboxy(hydroxy)methyl]amino]propanoic acid
SMILESCC(NC(O)C(=O)O)C(=O)O
InChIInChI=1S/C5H9NO5/c1-2(4(8)9)6-3(7)5(10)11/h2-3,6-7H,1H3,(H,8,9)(H,10,11)
InChIKeyNOLLTLQCUZKLKH-UHFFFAOYSA-N
MW163.13 g/mol
LogP-1.55
Rot. Bonds4

About 2-[[carboxy(hydroxy)methyl]amino]propanoic acid

2-[[carboxy(hydroxy)methyl]amino]propanoic acid (PubChem CID 21195363) has the molecular formula C5H9NO5 and a molecular weight of 163.13 g/mol. Its IUPAC name is 2-[[carboxy(hydroxy)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[carboxy(hydroxy)methyl]amino]propanoic acid
PubChem CID21195363
Molecular FormulaC5H9NO5
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Name2-[[carboxy(hydroxy)methyl]amino]propanoic acid
SMILESCC(NC(O)C(=O)O)C(=O)O
InChIInChI=1S/C5H9NO5/c1-2(4(8)9)6-3(7)5(10)11/h2-3,6-7H,1H3,(H,8,9)(H,10,11)
InChIKeyNOLLTLQCUZKLKH-UHFFFAOYSA-N
XLogP-1.55
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid
CID 10953819
2-[[(1S)-1-carboxyethyl]amino]propanedioic acid
CID 87604666
trisodium;2-(1-carboxyethylamino)propanedioic acid;hydride
CID 174988964
actinium;2-hydroxy-2-(methylamino)acetic acid
CID 59943619
(2S)-2-(1,3-dihydroxypropan-2-ylamino)propanoic acid
CID 139900903
(2R)-2-[2-[(1S)-1-carboxyethyl]hydrazinyl]propanoic acid
CID 25136606
(2R)-2-[[(2S)-butan-2-yl]amino]propanoic acid
CID 93054816
[(1-Carboxyethyl)amino]oxidanyl
CID 165359193
2-(1-sulfoethylamino)propanoic acid
CID 88774126
2-(2,6-dimethylheptan-4-ylamino)propanoic acid
CID 61499456
(2S)-2-(iodoamino)propanoic acid
CID 54416510
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788

Frequently Asked Questions

What is the IUPAC name of 2-[[carboxy(hydroxy)methyl]amino]propanoic acid?
The IUPAC name of 2-[[carboxy(hydroxy)methyl]amino]propanoic acid (CID 21195363) is 2-[[carboxy(hydroxy)methyl]amino]propanoic acid.
What is the SMILES notation for 2-[[carboxy(hydroxy)methyl]amino]propanoic acid?
The canonical SMILES for 2-[[carboxy(hydroxy)methyl]amino]propanoic acid is CC(NC(O)C(=O)O)C(=O)O.
What is the InChIKey of 2-[[carboxy(hydroxy)methyl]amino]propanoic acid?
The InChIKey is NOLLTLQCUZKLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO5/c1-2(4(8)9)6-3(7)5(10)11/h2-3,6-7H,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-[[carboxy(hydroxy)methyl]amino]propanoic acid?
2-[[carboxy(hydroxy)methyl]amino]propanoic acid has a molecular weight of 163.13 g/mol, XLogP of -1.55, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[carboxy(hydroxy)methyl]amino]propanoic acid is sourced from PubChem (CID 21195363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).