(2R)-2-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]propanoic acid

C10H16N4O3 — CID 78977343

IUPAC(2R)-2-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]propanoic acid
SMILESC[C@@H](NC(=O)NCCc1nccn1C)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-7(9(15)16)13-10(17)12-4-3-8-11-5-6-14(8)2/h5-7H,3-4H2,1-2H3,(H,15,16)(H2,12,13,17)/t7-/m1/s1
InChIKeyHDBSSVXQLCRIFV-SSDOTTSWSA-N
MW240.26 g/mol
LogP-0.27
Rot. Bonds5

About (2R)-2-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]propanoic acid

(2R)-2-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]propanoic acid (PubChem CID 78977343) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (2R)-2-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]propanoic acid
PubChem CID78977343
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name(2R)-2-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]propanoic acid
SMILESC[C@@H](NC(=O)NCCc1nccn1C)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-7(9(15)16)13-10(17)12-4-3-8-11-5-6-14(8)2/h5-7H,3-4H2,1-2H3,(H,15,16)(H2,12,13,17)/t7-/m1/s1
InChIKeyHDBSSVXQLCRIFV-SSDOTTSWSA-N
XLogP-0.27
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-3-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 82003366
2-methyl-4-[(1-methylimidazol-2-yl)methylcarbamoylamino]butanoic acid
CID 80541064
3-[2-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 62232290
3-methoxy-4-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]butanoic acid
CID 103159174
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 106106029
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
3-[ethyl-[2-(1-methylimidazol-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62854114
(2S)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 78967885
(2R)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 54991048
2-(butan-2-ylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 61210159
4-amino-5-[2-(1-methylimidazol-2-yl)ethylamino]-5-oxopentanoic acid
CID 64890881
2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetic acid
CID 63292500

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]propanoic acid?
The IUPAC name of (2R)-2-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]propanoic acid (CID 78977343) is (2R)-2-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]propanoic acid is C[C@@H](NC(=O)NCCc1nccn1C)C(=O)O.
What is the InChIKey of (2R)-2-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]propanoic acid?
The InChIKey is HDBSSVXQLCRIFV-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-7(9(15)16)13-10(17)12-4-3-8-11-5-6-14(8)2/h5-7H,3-4H2,1-2H3,(H,15,16)(H2,12,13,17)/t7-/m1/s1.
What are the key properties of (2R)-2-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]propanoic acid?
(2R)-2-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]propanoic acid has a molecular weight of 240.26 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 78977343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).