3-(carboxymethylamino)propanoic acid;ethane

C7H15NO4 — CID 143762125

IUPAC3-(carboxymethylamino)propanoic acid;ethane
SMILESCC.O=C(O)CCNCC(=O)O
InChIInChI=1S/C5H9NO4.C2H6/c7-4(8)1-2-6-3-5(9)10;1-2/h6H,1-3H2,(H,7,8)(H,9,10);1-2H3
InChIKeyCBKJQUIGXMXPMA-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.16
Rot. Bonds5

About 3-(carboxymethylamino)propanoic acid;ethane

3-(carboxymethylamino)propanoic acid;ethane (PubChem CID 143762125) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3-(carboxymethylamino)propanoic acid;ethane.

Molecular Properties

Compound Name3-(carboxymethylamino)propanoic acid;ethane
PubChem CID143762125
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name3-(carboxymethylamino)propanoic acid;ethane
SMILESCC.O=C(O)CCNCC(=O)O
InChIInChI=1S/C5H9NO4.C2H6/c7-4(8)1-2-6-3-5(9)10;1-2/h6H,1-3H2,(H,7,8)(H,9,10);1-2H3
InChIKeyCBKJQUIGXMXPMA-UHFFFAOYSA-N
XLogP0.16
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-bromo-3-oxobutyl)amino]acetic acid
CID 87596789
3-[2-[2-[2-[2-[2-[2-(2-carboxyethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]propanoic acid
CID 88924082
ethane;3-(propylamino)propanoic acid
CID 145416081
3-(ethylamino)propanoic acid;hydrochloride
CID 86759576
2-(carboxymethylamino)acetic acid
CID 8897
2-[2-(2-hydroxyprop-2-enylamino)ethylamino]acetic acid
CID 89408720
sodium 2-(2-hydroxyethylamino)acetic acid
CID 22056559
2-(2-hydroxyethylamino)acetic acid;phosphane
CID 174633538
2-(2-chloroethylamino)acetic acid
CID 19860488
3-[2-(diethylamino)ethylamino]propanoic acid
CID 28830296
3-(ethylamino)propanoic acid;methane;propanoic acid
CID 174356435
2-(carboxymethylamino)acetic acid;cobalt
CID 87306494

Frequently Asked Questions

What is the IUPAC name of 3-(carboxymethylamino)propanoic acid;ethane?
The IUPAC name of 3-(carboxymethylamino)propanoic acid;ethane (CID 143762125) is 3-(carboxymethylamino)propanoic acid;ethane.
What is the SMILES notation for 3-(carboxymethylamino)propanoic acid;ethane?
The canonical SMILES for 3-(carboxymethylamino)propanoic acid;ethane is CC.O=C(O)CCNCC(=O)O.
What is the InChIKey of 3-(carboxymethylamino)propanoic acid;ethane?
The InChIKey is CBKJQUIGXMXPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4.C2H6/c7-4(8)1-2-6-3-5(9)10;1-2/h6H,1-3H2,(H,7,8)(H,9,10);1-2H3.
What are the key properties of 3-(carboxymethylamino)propanoic acid;ethane?
3-(carboxymethylamino)propanoic acid;ethane has a molecular weight of 177.20 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxymethylamino)propanoic acid;ethane is sourced from PubChem (CID 143762125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).