(2S)-2-amino-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid

C10H15N3O2 — CID 102354753

IUPAC(2S)-2-amino-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid
SMILESN[C@@H](Cc1n[nH]c2c1CCCC2)C(=O)O
InChIInChI=1S/C10H15N3O2/c11-7(10(14)15)5-9-6-3-1-2-4-8(6)12-13-9/h7H,1-5,11H2,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyHADWPZVGWLNKMM-ZETCQYMHSA-N
MW209.25 g/mol
LogP0.24
Rot. Bonds3

About (2S)-2-amino-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid

(2S)-2-amino-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid (PubChem CID 102354753) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2S)-2-amino-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid
PubChem CID102354753
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name(2S)-2-amino-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid
SMILESN[C@@H](Cc1n[nH]c2c1CCCC2)C(=O)O
InChIInChI=1S/C10H15N3O2/c11-7(10(14)15)5-9-6-3-1-2-4-8(6)12-13-9/h7H,1-5,11H2,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyHADWPZVGWLNKMM-ZETCQYMHSA-N
XLogP0.24
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
CID 21258059
2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid
CID 83858861
3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoate
CID 7236613
2-amino-3-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propanoic acid
CID 178095746
(2S)-2-(4-hydroxyphenyl)-2-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]acetic acid
CID 97207894
N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine
CID 3157469
N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110888333
2-amino-3-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid
CID 117362582
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 165425789
2-benzyl-3-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)propanoic acid
CID 75495605
3-(2,2-dimethylpropyl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole
CID 59453579
methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azanium
CID 7236612

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid (CID 102354753) is (2S)-2-amino-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid is N[C@@H](Cc1n[nH]c2c1CCCC2)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid?
The InChIKey is HADWPZVGWLNKMM-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-7(10(14)15)5-9-6-3-1-2-4-8(6)12-13-9/h7H,1-5,11H2,(H,12,13)(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid?
(2S)-2-amino-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid is sourced from PubChem (CID 102354753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).