2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

C11H18N4O4 — CID 61209566

IUPAC2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
SMILESCCN(CCO)C(=O)NC(Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C11H18N4O4/c1-2-15(3-4-16)11(19)14-9(10(17)18)5-8-6-12-7-13-8/h6-7,9,16H,2-5H2,1H3,(H,12,13)(H,14,19)(H,17,18)
InChIKeyLXRZYTJMDMOULA-UHFFFAOYSA-N
MW270.29 g/mol
LogP-0.57
Rot. Bonds7

About 2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid (PubChem CID 61209566) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
PubChem CID61209566
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
SMILESCCN(CCO)C(=O)NC(Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C11H18N4O4/c1-2-15(3-4-16)11(19)14-9(10(17)18)5-8-6-12-7-13-8/h6-7,9,16H,2-5H2,1H3,(H,12,13)(H,14,19)(H,17,18)
InChIKeyLXRZYTJMDMOULA-UHFFFAOYSA-N
XLogP-0.57
TPSA118.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104895116
(2S)-3-(1H-imidazol-5-yl)-2-[[methyl(pentyl)carbamoyl]amino]propanoic acid
CID 61198534
(2R)-2-[[2-(dimethylamino)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104894253
(2S)-2-(3-hydroxypropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 14308140
(2S)-2-(ethylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 61188865
(2S)-2-[[3-hydroxybutyl(methyl)carbamoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104869330
2-[[cyclopropyl(methyl)carbamoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 61196004
2-(2-ethylbutanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 43184423
(2R)-3-(1H-imidazol-5-yl)-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]propanoic acid
CID 104895272
2-[[cyclobutyl(methyl)carbamoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104873581
(2S)-2-(carbonochloridoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 175906172
2-[(2-amino-2-ethylbutanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 103869361

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid?
The IUPAC name of 2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid (CID 61209566) is 2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for 2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for 2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid is CCN(CCO)C(=O)NC(Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of 2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid?
The InChIKey is LXRZYTJMDMOULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-2-15(3-4-16)11(19)14-9(10(17)18)5-8-6-12-7-13-8/h6-7,9,16H,2-5H2,1H3,(H,12,13)(H,14,19)(H,17,18).
What are the key properties of 2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid?
2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid has a molecular weight of 270.29 g/mol, XLogP of -0.57, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 61209566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).