(5R)-5-[(2R)-2-amino-2-carboxyethyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid

C7H11N3O4 — CID 72707335

IUPAC(5R)-5-[(2R)-2-amino-2-carboxyethyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid
SMILESN[C@H](C[C@@H]1CC(C(=O)O)=NN1)C(=O)O
InChIInChI=1S/C7H11N3O4/c8-4(6(11)12)1-3-2-5(7(13)14)10-9-3/h3-4,9H,1-2,8H2,(H,11,12)(H,13,14)/t3-,4-/m1/s1
InChIKeyNYDFRIWKVJLEJC-QWWZWVQMSA-N
MW201.18 g/mol
LogP-1.41
Rot. Bonds4

About (5R)-5-[(2R)-2-amino-2-carboxyethyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid

(5R)-5-[(2R)-2-amino-2-carboxyethyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid (PubChem CID 72707335) has the molecular formula C7H11N3O4 and a molecular weight of 201.18 g/mol. Its IUPAC name is (5R)-5-[(2R)-2-amino-2-carboxyethyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name(5R)-5-[(2R)-2-amino-2-carboxyethyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid
PubChem CID72707335
Molecular FormulaC7H11N3O4
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name(5R)-5-[(2R)-2-amino-2-carboxyethyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid
SMILESN[C@H](C[C@@H]1CC(C(=O)O)=NN1)C(=O)O
InChIInChI=1S/C7H11N3O4/c8-4(6(11)12)1-3-2-5(7(13)14)10-9-3/h3-4,9H,1-2,8H2,(H,11,12)(H,13,14)/t3-,4-/m1/s1
InChIKeyNYDFRIWKVJLEJC-QWWZWVQMSA-N
XLogP-1.41
TPSA125.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2R)-2-amino-2-carboxyethyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid?
The IUPAC name of (5R)-5-[(2R)-2-amino-2-carboxyethyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid (CID 72707335) is (5R)-5-[(2R)-2-amino-2-carboxyethyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for (5R)-5-[(2R)-2-amino-2-carboxyethyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for (5R)-5-[(2R)-2-amino-2-carboxyethyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid is N[C@H](C[C@@H]1CC(C(=O)O)=NN1)C(=O)O.
What is the InChIKey of (5R)-5-[(2R)-2-amino-2-carboxyethyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid?
The InChIKey is NYDFRIWKVJLEJC-QWWZWVQMSA-N. The full InChI is InChI=1S/C7H11N3O4/c8-4(6(11)12)1-3-2-5(7(13)14)10-9-3/h3-4,9H,1-2,8H2,(H,11,12)(H,13,14)/t3-,4-/m1/s1.
What are the key properties of (5R)-5-[(2R)-2-amino-2-carboxyethyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid?
(5R)-5-[(2R)-2-amino-2-carboxyethyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid has a molecular weight of 201.18 g/mol, XLogP of -1.41, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2R)-2-amino-2-carboxyethyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 72707335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).