(2S)-3-methoxy-2-[[2-[[2-(propanoylamino)acetyl]amino]acetyl]amino]propanoic acid

C11H19N3O6 — CID 89002715

IUPAC(2S)-3-methoxy-2-[[2-[[2-(propanoylamino)acetyl]amino]acetyl]amino]propanoic acid
SMILESCCC(=O)NCC(=O)NCC(=O)N[C@@H](COC)C(=O)O
InChIInChI=1S/C11H19N3O6/c1-3-8(15)12-4-9(16)13-5-10(17)14-7(6-20-2)11(18)19/h7H,3-6H2,1-2H3,(H,12,15)(H,13,16)(H,14,17)(H,18,19)/t7-/m0/s1
InChIKeyFOWJKFBHBGXDDB-ZETCQYMHSA-N
MW289.29 g/mol
LogP-2.16
Rot. Bonds9

About (2S)-3-methoxy-2-[[2-[[2-(propanoylamino)acetyl]amino]acetyl]amino]propanoic acid

(2S)-3-methoxy-2-[[2-[[2-(propanoylamino)acetyl]amino]acetyl]amino]propanoic acid (PubChem CID 89002715) has the molecular formula C11H19N3O6 and a molecular weight of 289.29 g/mol. Its IUPAC name is (2S)-3-methoxy-2-[[2-[[2-(propanoylamino)acetyl]amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-methoxy-2-[[2-[[2-(propanoylamino)acetyl]amino]acetyl]amino]propanoic acid
PubChem CID89002715
Molecular FormulaC11H19N3O6
Molecular Weight289.29 g/mol
Exact Mass289.13
IUPAC Name(2S)-3-methoxy-2-[[2-[[2-(propanoylamino)acetyl]amino]acetyl]amino]propanoic acid
SMILESCCC(=O)NCC(=O)NCC(=O)N[C@@H](COC)C(=O)O
InChIInChI=1S/C11H19N3O6/c1-3-8(15)12-4-9(16)13-5-10(17)14-7(6-20-2)11(18)19/h7H,3-6H2,1-2H3,(H,12,15)(H,13,16)(H,14,17)(H,18,19)/t7-/m0/s1
InChIKeyFOWJKFBHBGXDDB-ZETCQYMHSA-N
XLogP-2.16
TPSA133.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-2.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-3-methoxy-2-[[2-[[2-(propanoylamino)acetyl]amino]acetyl]amino]propanoic acid with MolForge

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Related Compounds

3-methoxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 113405687
2-(ethylcarbamoylamino)-3-methoxypropanoic acid
CID 81076919
3-methoxy-2-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 113405671
2-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxypropanoic acid
CID 81078544
2-(3-ethoxypropanoylamino)-3-methoxypropanoic acid
CID 81076376
2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-methoxypropanoic acid
CID 81085011
3-methoxy-2-(octanoylamino)propanoic acid
CID 81077297
(2R)-2-(carbonochloridoylamino)-3-methoxypropanoic acid
CID 131230342
3-methoxy-2-(3-methylsulfanylpropanoylamino)propanoic acid
CID 81080047
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-3-methoxypropanoic acid
CID 90981057
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
2-[[2-(4-chlorophenyl)acetyl]amino]-3-methoxypropanoic acid
CID 81077193

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methoxy-2-[[2-[[2-(propanoylamino)acetyl]amino]acetyl]amino]propanoic acid?
The IUPAC name of (2S)-3-methoxy-2-[[2-[[2-(propanoylamino)acetyl]amino]acetyl]amino]propanoic acid (CID 89002715) is (2S)-3-methoxy-2-[[2-[[2-(propanoylamino)acetyl]amino]acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-3-methoxy-2-[[2-[[2-(propanoylamino)acetyl]amino]acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-3-methoxy-2-[[2-[[2-(propanoylamino)acetyl]amino]acetyl]amino]propanoic acid is CCC(=O)NCC(=O)NCC(=O)N[C@@H](COC)C(=O)O.
What is the InChIKey of (2S)-3-methoxy-2-[[2-[[2-(propanoylamino)acetyl]amino]acetyl]amino]propanoic acid?
The InChIKey is FOWJKFBHBGXDDB-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H19N3O6/c1-3-8(15)12-4-9(16)13-5-10(17)14-7(6-20-2)11(18)19/h7H,3-6H2,1-2H3,(H,12,15)(H,13,16)(H,14,17)(H,18,19)/t7-/m0/s1.
What are the key properties of (2S)-3-methoxy-2-[[2-[[2-(propanoylamino)acetyl]amino]acetyl]amino]propanoic acid?
(2S)-3-methoxy-2-[[2-[[2-(propanoylamino)acetyl]amino]acetyl]amino]propanoic acid has a molecular weight of 289.29 g/mol, XLogP of -2.16, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methoxy-2-[[2-[[2-(propanoylamino)acetyl]amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 89002715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).