(3S)-(1,2-15N2)diazinane-3-carboxylic acid

C5H10N2O2 — CID 10820561

IUPAC(3S)-(1,2-15N2)diazinane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCC[15NH][15NH]1
InChIInChI=1S/C5H10N2O2/c8-5(9)4-2-1-3-6-7-4/h4,6-7H,1-3H2,(H,8,9)/t4-/m0/s1/i6+1,7+1
InChIKeyBZIBRGSBQKLEDC-VFCOPISOSA-N
MW132.13 g/mol
LogP-0.67
Rot. Bonds1

About (3S)-(1,2-15N2)diazinane-3-carboxylic acid

(3S)-(1,2-15N2)diazinane-3-carboxylic acid (PubChem CID 10820561) has the molecular formula C5H10N2O2 and a molecular weight of 132.13 g/mol. Its IUPAC name is (3S)-(1,2-15N2)diazinane-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-(1,2-15N2)diazinane-3-carboxylic acid
PubChem CID10820561
Molecular FormulaC5H10N2O2
Molecular Weight132.13 g/mol
Exact Mass132.07
IUPAC Name(3S)-(1,2-15N2)diazinane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCC[15NH][15NH]1
InChIInChI=1S/C5H10N2O2/c8-5(9)4-2-1-3-6-7-4/h4,6-7H,1-3H2,(H,8,9)/t4-/m0/s1/i6+1,7+1
InChIKeyBZIBRGSBQKLEDC-VFCOPISOSA-N
XLogP-0.67
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-diazepane-3-carboxylic acid
CID 124707549
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
(3S,6S)-diazinane-3,6-dicarboxylic acid
CID 131115204
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
pyrrolidine-2-carboxylic acid;silver
CID 87701112
carbonic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70552648

Frequently Asked Questions

What is the IUPAC name of (3S)-(1,2-15N2)diazinane-3-carboxylic acid?
The IUPAC name of (3S)-(1,2-15N2)diazinane-3-carboxylic acid (CID 10820561) is (3S)-(1,2-15N2)diazinane-3-carboxylic acid.
What is the SMILES notation for (3S)-(1,2-15N2)diazinane-3-carboxylic acid?
The canonical SMILES for (3S)-(1,2-15N2)diazinane-3-carboxylic acid is O=C(O)[C@@H]1CCC[15NH][15NH]1.
What is the InChIKey of (3S)-(1,2-15N2)diazinane-3-carboxylic acid?
The InChIKey is BZIBRGSBQKLEDC-VFCOPISOSA-N. The full InChI is InChI=1S/C5H10N2O2/c8-5(9)4-2-1-3-6-7-4/h4,6-7H,1-3H2,(H,8,9)/t4-/m0/s1/i6+1,7+1.
What are the key properties of (3S)-(1,2-15N2)diazinane-3-carboxylic acid?
(3S)-(1,2-15N2)diazinane-3-carboxylic acid has a molecular weight of 132.13 g/mol, XLogP of -0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-(1,2-15N2)diazinane-3-carboxylic acid is sourced from PubChem (CID 10820561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).