2-[(1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetic acid

C11H19N3O2 — CID 83095079

IUPAC2-[(1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetic acid
SMILESCc1nn(C)cc1CN(CC(=O)O)C(C)C
InChIInChI=1S/C11H19N3O2/c1-8(2)14(7-11(15)16)6-10-5-13(4)12-9(10)3/h5,8H,6-7H2,1-4H3,(H,15,16)
InChIKeyVAJYKQMLYMEBJP-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.02
Rot. Bonds5

About 2-[(1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetic acid

2-[(1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetic acid (PubChem CID 83095079) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetic acid
PubChem CID83095079
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[(1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetic acid
SMILESCc1nn(C)cc1CN(CC(=O)O)C(C)C
InChIInChI=1S/C11H19N3O2/c1-8(2)14(7-11(15)16)6-10-5-13(4)12-9(10)3/h5,8H,6-7H2,1-4H3,(H,15,16)
InChIKeyVAJYKQMLYMEBJP-UHFFFAOYSA-N
XLogP1.02
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl-propan-2-ylamino]acetic acid
CID 112671622
2-[(1,3-dimethylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 83095175
4-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl-propan-2-ylamino]butanoic acid
CID 115991292
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622204
(2S)-2-[4-[[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]phenoxy]propanoic acid
CID 99959910
(2S)-3-(1,3-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid
CID 125425002
3-[(1,3-dimethylpyrazole-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 103790605
2-[butan-2-yl-(1,3-dimethylpyrazole-4-carbonyl)amino]acetic acid
CID 113286030
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylethanesulfonamide
CID 22771446
2-[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]acetic acid
CID 60840145
2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-phenylacetamide
CID 17378441
5-[(1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid
CID 103263035

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetic acid (CID 83095079) is 2-[(1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetic acid is Cc1nn(C)cc1CN(CC(=O)O)C(C)C.
What is the InChIKey of 2-[(1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetic acid?
The InChIKey is VAJYKQMLYMEBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)14(7-11(15)16)6-10-5-13(4)12-9(10)3/h5,8H,6-7H2,1-4H3,(H,15,16).
What are the key properties of 2-[(1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetic acid?
2-[(1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetic acid has a molecular weight of 225.29 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 83095079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).