(2R)-2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanoic acid

C8H13N3O2 — CID 29061487

IUPAC(2R)-2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanoic acid
SMILESCn1cc(C[C@H](CN)C(=O)O)cn1
InChIInChI=1S/C8H13N3O2/c1-11-5-6(4-10-11)2-7(3-9)8(12)13/h4-5,7H,2-3,9H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyUNIQHCDGGLCSGA-SSDOTTSWSA-N
MW183.21 g/mol
LogP-0.38
Rot. Bonds4

About (2R)-2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanoic acid

(2R)-2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanoic acid (PubChem CID 29061487) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is (2R)-2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanoic acid
PubChem CID29061487
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name(2R)-2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanoic acid
SMILESCn1cc(C[C@H](CN)C(=O)O)cn1
InChIInChI=1S/C8H13N3O2/c1-11-5-6(4-10-11)2-7(3-9)8(12)13/h4-5,7H,2-3,9H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyUNIQHCDGGLCSGA-SSDOTTSWSA-N
XLogP-0.38
TPSA81.14 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 ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N,N-dimethyl-3-(1-methylpyrazol-4-yl)propanamide
CID 62082595
2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride
CID 156589324
3-methyl-2-[(1-methylpyrazol-4-yl)methyl]butanoic acid
CID 62126220
2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanoic acid
CID 55040758
2-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62505178
(2R)-2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;methane;methyl (2R)-2-amino-3-(1-methylpyrazol-4-yl)propanoate
CID 161483987
2-cyclopentyl-3-(1-methylpyrazol-4-yl)propanoic acid
CID 112569172
2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 62505722
2-(aminomethyl)-3-(1,4-dimethylpyrazol-3-yl)propanoic acid
CID 82398939
2-(aminomethyl)-N-methyl-3-(1-propylpyrazol-4-yl)propanamide
CID 103572343
ethyl 2-chloro-3-(1-methylpyrazol-4-yl)propanoate
CID 83197701
2-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diol
CID 79450253

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanoic acid?
The IUPAC name of (2R)-2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanoic acid (CID 29061487) is (2R)-2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for (2R)-2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanoic acid?
The canonical SMILES for (2R)-2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanoic acid is Cn1cc(C[C@H](CN)C(=O)O)cn1.
What is the InChIKey of (2R)-2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanoic acid?
The InChIKey is UNIQHCDGGLCSGA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-11-5-6(4-10-11)2-7(3-9)8(12)13/h4-5,7H,2-3,9H2,1H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanoic acid?
(2R)-2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanoic acid has a molecular weight of 183.21 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 29061487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).