2-(ethylcarbamoylamino)-3-methoxypropanoic acid

C7H14N2O4 — CID 81076919

IUPAC2-(ethylcarbamoylamino)-3-methoxypropanoic acid
SMILESCCNC(=O)NC(COC)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-3-8-7(12)9-5(4-13-2)6(10)11/h5H,3-4H2,1-2H3,(H,10,11)(H2,8,9,12)
InChIKeyNIQIQFFKWKODFU-UHFFFAOYSA-N
MW190.20 g/mol
LogP-0.59
Rot. Bonds5

About 2-(ethylcarbamoylamino)-3-methoxypropanoic acid

2-(ethylcarbamoylamino)-3-methoxypropanoic acid (PubChem CID 81076919) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(ethylcarbamoylamino)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(ethylcarbamoylamino)-3-methoxypropanoic acid
PubChem CID81076919
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name2-(ethylcarbamoylamino)-3-methoxypropanoic acid
SMILESCCNC(=O)NC(COC)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-3-8-7(12)9-5(4-13-2)6(10)11/h5H,3-4H2,1-2H3,(H,10,11)(H2,8,9,12)
InChIKeyNIQIQFFKWKODFU-UHFFFAOYSA-N
XLogP-0.59
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-(prop-2-ynylcarbamoylamino)propanoic acid
CID 81084281
3-methoxy-2-(pentylcarbamoylamino)propanoic acid
CID 81086094
(2S)-2-(ethylamino)-3-methoxypropanoic acid
CID 149367077
2-(butan-2-ylcarbamoylamino)-3-methoxypropanoic acid
CID 81084433
2-(3-aminopropylcarbamoylamino)-3-methoxypropanoic acid
CID 81085801
3-methoxy-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid
CID 81084969
3-methoxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 113405687
3-methoxy-2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 81085452
3-methoxy-2-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 113405671
(2R)-2-(ethylcarbamoylamino)-3-sulfanylpropanoic acid
CID 23618356
(2R)-2-(carbonochloridoylamino)-3-methoxypropanoic acid
CID 131230342
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methoxypropanoic acid
CID 81085433

Frequently Asked Questions

What is the IUPAC name of 2-(ethylcarbamoylamino)-3-methoxypropanoic acid?
The IUPAC name of 2-(ethylcarbamoylamino)-3-methoxypropanoic acid (CID 81076919) is 2-(ethylcarbamoylamino)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(ethylcarbamoylamino)-3-methoxypropanoic acid?
The canonical SMILES for 2-(ethylcarbamoylamino)-3-methoxypropanoic acid is CCNC(=O)NC(COC)C(=O)O.
What is the InChIKey of 2-(ethylcarbamoylamino)-3-methoxypropanoic acid?
The InChIKey is NIQIQFFKWKODFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-3-8-7(12)9-5(4-13-2)6(10)11/h5H,3-4H2,1-2H3,(H,10,11)(H2,8,9,12).
What are the key properties of 2-(ethylcarbamoylamino)-3-methoxypropanoic acid?
2-(ethylcarbamoylamino)-3-methoxypropanoic acid has a molecular weight of 190.20 g/mol, XLogP of -0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylcarbamoylamino)-3-methoxypropanoic acid is sourced from PubChem (CID 81076919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).