(2R)-2-[(2-ethoxyacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid

C10H15N3O4 — CID 28777519

IUPAC(2R)-2-[(2-ethoxyacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
SMILESCCOCC(=O)N[C@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-2-17-5-9(14)13-8(10(15)16)3-7-4-11-6-12-7/h4,6,8H,2-3,5H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t8-/m1/s1
InChIKeyIWHLPVOFPNIWJJ-MRVPVSSYSA-N
MW241.25 g/mol
LogP-0.44
Rot. Bonds7

About (2R)-2-[(2-ethoxyacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid

(2R)-2-[(2-ethoxyacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid (PubChem CID 28777519) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is (2R)-2-[(2-ethoxyacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-ethoxyacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
PubChem CID28777519
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name(2R)-2-[(2-ethoxyacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
SMILESCCOCC(=O)N[C@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-2-17-5-9(14)13-8(10(15)16)3-7-4-11-6-12-7/h4,6,8H,2-3,5H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t8-/m1/s1
InChIKeyIWHLPVOFPNIWJJ-MRVPVSSYSA-N
XLogP-0.44
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(1H-imidazol-5-yl)-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid
CID 59096138
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(2S)-2-(ethoxycarbothioylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 175665144
(2R)-3-(1H-imidazol-5-yl)-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid
CID 103870385
(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)-3-(1H-imidazol-5-yl)-2-(pentacosanoylamino)propanoic acid
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(2R)-2-[3-(ethylamino)propanoylamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104894538
2-(3-aminopentanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 107864243
(2S)-3-(1H-imidazol-5-yl)-2-(pentadecanoylamino)propanoic acid
CID 130237897
2-[(2-amino-3-ethoxy-3-oxopropanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-ethoxyacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid?
The IUPAC name of (2R)-2-[(2-ethoxyacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid (CID 28777519) is (2R)-2-[(2-ethoxyacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for (2R)-2-[(2-ethoxyacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for (2R)-2-[(2-ethoxyacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid is CCOCC(=O)N[C@H](Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of (2R)-2-[(2-ethoxyacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid?
The InChIKey is IWHLPVOFPNIWJJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-2-17-5-9(14)13-8(10(15)16)3-7-4-11-6-12-7/h4,6,8H,2-3,5H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-2-[(2-ethoxyacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid?
(2R)-2-[(2-ethoxyacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid has a molecular weight of 241.25 g/mol, XLogP of -0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-ethoxyacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 28777519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).