(2R)-2-amino-2-(1H-pyrazol-4-yl)propanoic acid

C6H9N3O2 — CID 57250697

IUPAC(2R)-2-amino-2-(1H-pyrazol-4-yl)propanoic acid
SMILESC[C@](N)(C(=O)O)c1cn[nH]c1
InChIInChI=1S/C6H9N3O2/c1-6(7,5(10)11)4-2-8-9-3-4/h2-3H,7H2,1H3,(H,8,9)(H,10,11)/t6-/m1/s1
InChIKeySBAIGPYAKSKIGP-ZCFIWIBFSA-N
MW155.16 g/mol
LogP-0.33
Rot. Bonds2

About (2R)-2-amino-2-(1H-pyrazol-4-yl)propanoic acid

(2R)-2-amino-2-(1H-pyrazol-4-yl)propanoic acid (PubChem CID 57250697) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is (2R)-2-amino-2-(1H-pyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(1H-pyrazol-4-yl)propanoic acid
PubChem CID57250697
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name(2R)-2-amino-2-(1H-pyrazol-4-yl)propanoic acid
SMILESC[C@](N)(C(=O)O)c1cn[nH]c1
InChIInChI=1S/C6H9N3O2/c1-6(7,5(10)11)4-2-8-9-3-4/h2-3H,7H2,1H3,(H,8,9)(H,10,11)/t6-/m1/s1
InChIKeySBAIGPYAKSKIGP-ZCFIWIBFSA-N
XLogP-0.33
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 127255517
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2-methyl-2-(1H-pyrazol-4-yl)propanoic acid
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2-methyl-2-(1H-pyrazol-4-yl)propanoic acid hydrochloride
CID 155858282
2,2-difluoro-2-(1H-pyrazol-4-yl)acetic acid hydrochloride
CID 170915940
Ethyl 2-(1H-pyrazol-4-yl)acetate
CID 20555345
2,2-Difluoro-2-(1H-pyrazol-4-yl)acetic acid
CID 84716820
2-(5-fluoro-1H-pyrazol-4-yl)acetic acid
CID 115011582
2-fluoro-2-(1H-pyrazol-4-yl)acetic acid
CID 165960933
2-(1H-pyrazol-4-yl)prop-2-enoic acid
CID 20324588
2-(1H-pyrazol-4-yl)propanoic acid
CID 22665962

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(1H-pyrazol-4-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-2-(1H-pyrazol-4-yl)propanoic acid (CID 57250697) is (2R)-2-amino-2-(1H-pyrazol-4-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(1H-pyrazol-4-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-2-(1H-pyrazol-4-yl)propanoic acid is C[C@](N)(C(=O)O)c1cn[nH]c1.
What is the InChIKey of (2R)-2-amino-2-(1H-pyrazol-4-yl)propanoic acid?
The InChIKey is SBAIGPYAKSKIGP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-6(7,5(10)11)4-2-8-9-3-4/h2-3H,7H2,1H3,(H,8,9)(H,10,11)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-2-(1H-pyrazol-4-yl)propanoic acid?
(2R)-2-amino-2-(1H-pyrazol-4-yl)propanoic acid has a molecular weight of 155.16 g/mol, XLogP of -0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(1H-pyrazol-4-yl)propanoic acid is sourced from PubChem (CID 57250697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).