2-[methyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid

C10H17N3O2 — CID 114557887

IUPAC2-[methyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid
SMILESCCCn1nccc1CN(C)CC(=O)O
InChIInChI=1S/C10H17N3O2/c1-3-6-13-9(4-5-11-13)7-12(2)8-10(14)15/h4-5H,3,6-8H2,1-2H3,(H,14,15)
InChIKeyRXFNDTRFWIDZHC-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.81
Rot. Bonds6

About 2-[methyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid

2-[methyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid (PubChem CID 114557887) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[methyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid
PubChem CID114557887
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[methyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid
SMILESCCCn1nccc1CN(C)CC(=O)O
InChIInChI=1S/C10H17N3O2/c1-3-6-13-9(4-5-11-13)7-12(2)8-10(14)15/h4-5H,3,6-8H2,1-2H3,(H,14,15)
InChIKeyRXFNDTRFWIDZHC-UHFFFAOYSA-N
XLogP0.81
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid
CID 114557965
N'-methyl-N'-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 114556320
2-propylpyrazole-3-carboxylic acid
CID 7017775
4-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 114558026
4-[ethyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 114558024
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid
CID 65067288
(2-propylpyrazol-3-yl)methanesulfonamide
CID 114557239
2-[2-hydroxyethyl(methyl)amino]-N-(2-propylpyrazol-3-yl)acetamide
CID 111123044
2-[3-chloro-N-[(2-ethylpyrazol-3-yl)methyl]anilino]acetic acid
CID 114557924
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-phenylacetamide
CID 19454252
2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
CID 103004737

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid (CID 114557887) is 2-[methyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid is CCCn1nccc1CN(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid?
The InChIKey is RXFNDTRFWIDZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-6-13-9(4-5-11-13)7-12(2)8-10(14)15/h4-5H,3,6-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[methyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid?
2-[methyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid has a molecular weight of 211.26 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-propylpyrazol-3-yl)methyl]amino]acetic acid is sourced from PubChem (CID 114557887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).