2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid

C8H13N3O2 — CID 61499577

IUPAC2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
SMILESCC(NCc1ccnn1C)C(=O)O
InChIInChI=1S/C8H13N3O2/c1-6(8(12)13)9-5-7-3-4-10-11(7)2/h3-4,6,9H,5H2,1-2H3,(H,12,13)
InChIKeyQTCQOIMMRLNBKF-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.02
Rot. Bonds4

About 2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid

2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid (PubChem CID 61499577) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
PubChem CID61499577
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
SMILESCC(NCc1ccnn1C)C(=O)O
InChIInChI=1S/C8H13N3O2/c1-6(8(12)13)9-5-7-3-4-10-11(7)2/h3-4,6,9H,5H2,1-2H3,(H,12,13)
InChIKeyQTCQOIMMRLNBKF-UHFFFAOYSA-N
XLogP-0.02
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid
CID 83194398
methyl 2-[(2-methylpyrazol-3-yl)methylamino]-2-phenylacetate
CID 62108958
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005024
N-[(2-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115671266
N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine
CID 63011246
3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
CID 43663377
1-(2-ethylpyrazol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 19625601
3-[ethyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 63303421
(E)-3-[(2-methylpyrazol-3-yl)methylamino]prop-2-enoic acid
CID 103252130
1-N,1-N,3-trimethyl-2-N-[(2-methylpyrazol-3-yl)methyl]butane-1,2-diamine
CID 61476932
3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 81069445

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid?
The IUPAC name of 2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid (CID 61499577) is 2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid.
What is the SMILES notation for 2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid?
The canonical SMILES for 2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid is CC(NCc1ccnn1C)C(=O)O.
What is the InChIKey of 2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid?
The InChIKey is QTCQOIMMRLNBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(8(12)13)9-5-7-3-4-10-11(7)2/h3-4,6,9H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid?
2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid has a molecular weight of 183.21 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid is sourced from PubChem (CID 61499577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).