(2R)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]propanoic acid

C11H18N4O3 — CID 83193828

IUPAC(2R)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]propanoic acid
SMILESCc1nn(C)c(C)c1NC(=O)CN[C@H](C)C(=O)O
InChIInChI=1S/C11H18N4O3/c1-6-10(8(3)15(4)14-6)13-9(16)5-12-7(2)11(17)18/h7,12H,5H2,1-4H3,(H,13,16)(H,17,18)/t7-/m1/s1
InChIKeyJNNHFUMRDWQTFB-SSDOTTSWSA-N
MW254.29 g/mol
LogP0.04
Rot. Bonds5

About (2R)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]propanoic acid

(2R)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]propanoic acid (PubChem CID 83193828) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is (2R)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]propanoic acid
PubChem CID83193828
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name(2R)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]propanoic acid
SMILESCc1nn(C)c(C)c1NC(=O)CN[C@H](C)C(=O)O
InChIInChI=1S/C11H18N4O3/c1-6-10(8(3)15(4)14-6)13-9(16)5-12-7(2)11(17)18/h7,12H,5H2,1-4H3,(H,13,16)(H,17,18)/t7-/m1/s1
InChIKeyJNNHFUMRDWQTFB-SSDOTTSWSA-N
XLogP0.04
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]propanoic acid with MolForge

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Related Compounds

2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]pentanoic acid
CID 43631836
4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide
CID 79192900
2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977
2-amino-3-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]sulfanylpropanoic acid
CID 43385512
2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78912800
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60717287
2-[[(S)-cyclobutyl(phenyl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 95312814
2-[bis(2-hydroxyethyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60686676
3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110473196
2-(3,5-dimethylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86908709
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]butanoic acid
CID 82539337
3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]propanoic acid (CID 83193828) is (2R)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]propanoic acid is Cc1nn(C)c(C)c1NC(=O)CN[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]propanoic acid?
The InChIKey is JNNHFUMRDWQTFB-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-6-10(8(3)15(4)14-6)13-9(16)5-12-7(2)11(17)18/h7,12H,5H2,1-4H3,(H,13,16)(H,17,18)/t7-/m1/s1.
What are the key properties of (2R)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]propanoic acid?
(2R)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]propanoic acid has a molecular weight of 254.29 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]propanoic acid is sourced from PubChem (CID 83193828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).