3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxypropanoic acid

C11H21N3O5 — CID 66167159

IUPAC3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxypropanoic acid
SMILESCCN(CC)C(=O)CN(C)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-4-14(5-2)9(16)7-13(3)11(19)12-6-8(15)10(17)18/h8,15H,4-7H2,1-3H3,(H,12,19)(H,17,18)
InChIKeyCFVAWKDKTILBGX-UHFFFAOYSA-N
MW275.30 g/mol
LogP-1.06
Rot. Bonds7

About 3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxypropanoic acid

3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxypropanoic acid (PubChem CID 66167159) has the molecular formula C11H21N3O5 and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxypropanoic acid
PubChem CID66167159
Molecular FormulaC11H21N3O5
Molecular Weight275.30 g/mol
Exact Mass275.15
IUPAC Name3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxypropanoic acid
SMILESCCN(CC)C(=O)CN(C)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-4-14(5-2)9(16)7-13(3)11(19)12-6-8(15)10(17)18/h8,15H,4-7H2,1-3H3,(H,12,19)(H,17,18)
InChIKeyCFVAWKDKTILBGX-UHFFFAOYSA-N
XLogP-1.06
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 66167993
3-[[butyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66166113
(2S)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
CID 54946846
2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid
CID 66167834
3-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66165725
2-[[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]butanoic acid
CID 65223458
ethyl 2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetate
CID 60968980
(2R)-2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107826744
2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464032
1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446540
(2S)-2-hydroxy-3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 107839821
(2S)-3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-hydroxypropanoic acid
CID 107833506

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxypropanoic acid (CID 66167159) is 3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxypropanoic acid is CCN(CC)C(=O)CN(C)C(=O)NCC(O)C(=O)O.
What is the InChIKey of 3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxypropanoic acid?
The InChIKey is CFVAWKDKTILBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-4-14(5-2)9(16)7-13(3)11(19)12-6-8(15)10(17)18/h8,15H,4-7H2,1-3H3,(H,12,19)(H,17,18).
What are the key properties of 3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxypropanoic acid?
3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxypropanoic acid has a molecular weight of 275.30 g/mol, XLogP of -1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66167159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).