2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid

C9H16N2O6 — CID 66167834

IUPAC2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid
SMILESCOC(=O)CCN(C)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C9H16N2O6/c1-11(4-3-7(13)17-2)9(16)10-5-6(12)8(14)15/h6,12H,3-5H2,1-2H3,(H,10,16)(H,14,15)
InChIKeyOGJRVEHPINZZSB-UHFFFAOYSA-N
MW248.23 g/mol
LogP-1.36
Rot. Bonds6

About 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid

2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid (PubChem CID 66167834) has the molecular formula C9H16N2O6 and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid
PubChem CID66167834
Molecular FormulaC9H16N2O6
Molecular Weight248.23 g/mol
Exact Mass248.10
IUPAC Name2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid
SMILESCOC(=O)CCN(C)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C9H16N2O6/c1-11(4-3-7(13)17-2)9(16)10-5-6(12)8(14)15/h6,12H,3-5H2,1-2H3,(H,10,16)(H,14,15)
InChIKeyOGJRVEHPINZZSB-UHFFFAOYSA-N
XLogP-1.36
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 66167993
(2S)-2-hydroxy-3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 107839821
3-[[butyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66166113
(2S)-2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid
CID 107839292
3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66167159
2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid
CID 66168049
2-hydroxy-3-[[methyl(2-phenylethyl)carbamoyl]amino]propanoic acid
CID 66166586
(2S,3S)-2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-3-methylpentanoic acid
CID 55001754
(2S)-2-hydroxy-3-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
CID 107838620
2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 55002383
(2S)-2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 55002285
methyl 4-[ethylcarbamoyl(methyl)amino]butanoate
CID 60970924

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid (CID 66167834) is 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid is COC(=O)CCN(C)C(=O)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid?
The InChIKey is OGJRVEHPINZZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O6/c1-11(4-3-7(13)17-2)9(16)10-5-6(12)8(14)15/h6,12H,3-5H2,1-2H3,(H,10,16)(H,14,15).
What are the key properties of 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid?
2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid has a molecular weight of 248.23 g/mol, XLogP of -1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 66167834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).