(2S)-2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]propanoic acid

C10H20N2O5 — CID 156877122

IUPAC(2S)-2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]propanoic acid
SMILESC[C@H](NC(=O)CCOCCOCCN)C(=O)O
InChIInChI=1S/C10H20N2O5/c1-8(10(14)15)12-9(13)2-4-16-6-7-17-5-3-11/h8H,2-7,11H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyRTHFEHGXNGGMKK-QMMMGPOBSA-N
MW248.28 g/mol
LogP-1.04
Rot. Bonds10

About (2S)-2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]propanoic acid

(2S)-2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]propanoic acid (PubChem CID 156877122) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2S)-2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]propanoic acid
PubChem CID156877122
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name(2S)-2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]propanoic acid
SMILESC[C@H](NC(=O)CCOCCOCCN)C(=O)O
InChIInChI=1S/C10H20N2O5/c1-8(10(14)15)12-9(13)2-4-16-6-7-17-5-3-11/h8H,2-7,11H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyRTHFEHGXNGGMKK-QMMMGPOBSA-N
XLogP-1.04
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylpropanamide
CID 177120957
(2S)-2-(3-decoxypropanoylamino)propanoic acid
CID 57083473
2-[3-(2,2-difluoroethoxy)propanoylamino]propanoic acid
CID 103205780
(2S)-2-[3-(cyclopropylmethoxy)propanoylamino]propanoic acid
CID 119943235
2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]-N-[1-(2-formamidoethylamino)-1-oxopropan-2-yl]propanamide;ethane
CID 176965805
3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide
CID 126480543
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide
CID 126651556
(2S)-2-(3-hydroxypropanoylamino)propanoic acid
CID 126726083
(2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid
CID 65291208
3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-ethylpropanamide;ethanamine
CID 158863461
(2R)-2-[[22-[[(1R)-1-carboxyethyl]amino]-22-oxodocosanoyl]amino]propanoic acid
CID 100962390
(2R)-2-[[14-[[(1R)-1-carboxyethyl]amino]-14-oxotetradecanoyl]amino]propanoic acid
CID 100962387

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]propanoic acid?
The IUPAC name of (2S)-2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]propanoic acid (CID 156877122) is (2S)-2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]propanoic acid?
The canonical SMILES for (2S)-2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]propanoic acid is C[C@H](NC(=O)CCOCCOCCN)C(=O)O.
What is the InChIKey of (2S)-2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]propanoic acid?
The InChIKey is RTHFEHGXNGGMKK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O5/c1-8(10(14)15)12-9(13)2-4-16-6-7-17-5-3-11/h8H,2-7,11H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]propanoic acid?
(2S)-2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]propanoic acid has a molecular weight of 248.28 g/mol, XLogP of -1.04, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]propanoic acid is sourced from PubChem (CID 156877122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).