2-amino-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanoic acid

C9H19N3O3 — CID 65473819

IUPAC2-amino-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanoic acid
SMILESCCCN(CC(=O)NC)CC(N)C(=O)O
InChIInChI=1S/C9H19N3O3/c1-3-4-12(6-8(13)11-2)5-7(10)9(14)15/h7H,3-6,10H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyQJZZSCNVVCMCCM-UHFFFAOYSA-N
MW217.27 g/mol
LogP-1.14
Rot. Bonds7

About 2-amino-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanoic acid

2-amino-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanoic acid (PubChem CID 65473819) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-amino-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanoic acid
PubChem CID65473819
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name2-amino-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanoic acid
SMILESCCCN(CC(=O)NC)CC(N)C(=O)O
InChIInChI=1S/C9H19N3O3/c1-3-4-12(6-8(13)11-2)5-7(10)9(14)15/h7H,3-6,10H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyQJZZSCNVVCMCCM-UHFFFAOYSA-N
XLogP-1.14
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-hydrazinyl-2-methyl-3-oxopropyl)-propylamino]-N-methylacetamide
CID 63584441
ethyl 3-hydroxy-4-[[2-(methylamino)-2-oxoethyl]-propylamino]butanoate
CID 82770317
3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide
CID 61066515
(2R)-2-amino-3-(diethylamino)propanoic acid
CID 45082341
2-[cyanomethyl(propyl)amino]-N-methylacetamide
CID 61068678
N-methyl-2-[3-oxobutyl(propyl)amino]acetamide
CID 62036736
2-amino-3-[3-(diethylamino)propyl-ethylamino]propanoic acid
CID 102994758
N-methyl-2-[4-oxohexyl(propyl)amino]acetamide
CID 106801369
(2R)-2-amino-4-(methylamino)-4-oxobutanoic acid;hydrochloride
CID 141227673
3-(dipropylamino)-N-methylpropanamide
CID 90814262
(2R)-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 78972133
(2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide
CID 61157628

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanoic acid?
The IUPAC name of 2-amino-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanoic acid (CID 65473819) is 2-amino-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanoic acid.
What is the SMILES notation for 2-amino-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanoic acid?
The canonical SMILES for 2-amino-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanoic acid is CCCN(CC(=O)NC)CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanoic acid?
The InChIKey is QJZZSCNVVCMCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-3-4-12(6-8(13)11-2)5-7(10)9(14)15/h7H,3-6,10H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 2-amino-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanoic acid?
2-amino-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanoic acid has a molecular weight of 217.27 g/mol, XLogP of -1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanoic acid is sourced from PubChem (CID 65473819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).