(2S,3S)-2-hydrazinyl-3-propan-2-ylbutanedioic acid

C7H14N2O4 — CID 15275461

IUPAC(2S,3S)-2-hydrazinyl-3-propan-2-ylbutanedioic acid
SMILESCC(C)[C@H](C(=O)O)[C@H](NN)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-3(2)4(6(10)11)5(9-8)7(12)13/h3-5,9H,8H2,1-2H3,(H,10,11)(H,12,13)/t4-,5-/m0/s1
InChIKeyGRFTXSBSGUIYJC-WHFBIAKZSA-N
MW190.20 g/mol
LogP-0.74
Rot. Bonds5

About (2S,3S)-2-hydrazinyl-3-propan-2-ylbutanedioic acid

(2S,3S)-2-hydrazinyl-3-propan-2-ylbutanedioic acid (PubChem CID 15275461) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is (2S,3S)-2-hydrazinyl-3-propan-2-ylbutanedioic acid.

Molecular Properties

Compound Name(2S,3S)-2-hydrazinyl-3-propan-2-ylbutanedioic acid
PubChem CID15275461
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name(2S,3S)-2-hydrazinyl-3-propan-2-ylbutanedioic acid
SMILESCC(C)[C@H](C(=O)O)[C@H](NN)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-3(2)4(6(10)11)5(9-8)7(12)13/h3-5,9H,8H2,1-2H3,(H,10,11)(H,12,13)/t4-,5-/m0/s1
InChIKeyGRFTXSBSGUIYJC-WHFBIAKZSA-N
XLogP-0.74
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2,3-di(propan-2-yl)butanedioic acid
CID 95004211
3-methoxycarbonyl-4-methyl-2-propan-2-ylpentanoic acid
CID 118404303
(2S)-2-amino-3-hydrazinylbutanedioic acid
CID 54529331
(2S)-4-methoxy-3-methoxycarbonyl-4-oxo-2-propan-2-ylbutanoic acid
CID 87816169
acetic acid;alumane;3-methyl-2-propan-2-ylbutanoic acid
CID 175060887
(2R,3R)-3-hydroxy-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid
CID 162867940
2-chloro-3-hydrazinylbutanedioic acid
CID 74036786
methyl 2-hydrazinyl-3-methylbutanoate
CID 55279143
2-hydrazinyl-3-phenylbutanoic acid
CID 55280832
(2S)-3-methyl-2-(methylamino)butanoic acid
CID 161459292
3-methyl-2-(methylamino)butanoic acid
CID 4378
(2S)-2-(phenylmethoxycarbonylamino)-3-propan-2-ylbutanedioic acid
CID 57299985

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-hydrazinyl-3-propan-2-ylbutanedioic acid?
The IUPAC name of (2S,3S)-2-hydrazinyl-3-propan-2-ylbutanedioic acid (CID 15275461) is (2S,3S)-2-hydrazinyl-3-propan-2-ylbutanedioic acid.
What is the SMILES notation for (2S,3S)-2-hydrazinyl-3-propan-2-ylbutanedioic acid?
The canonical SMILES for (2S,3S)-2-hydrazinyl-3-propan-2-ylbutanedioic acid is CC(C)[C@H](C(=O)O)[C@H](NN)C(=O)O.
What is the InChIKey of (2S,3S)-2-hydrazinyl-3-propan-2-ylbutanedioic acid?
The InChIKey is GRFTXSBSGUIYJC-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-3(2)4(6(10)11)5(9-8)7(12)13/h3-5,9H,8H2,1-2H3,(H,10,11)(H,12,13)/t4-,5-/m0/s1.
What are the key properties of (2S,3S)-2-hydrazinyl-3-propan-2-ylbutanedioic acid?
(2S,3S)-2-hydrazinyl-3-propan-2-ylbutanedioic acid has a molecular weight of 190.20 g/mol, XLogP of -0.74, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-hydrazinyl-3-propan-2-ylbutanedioic acid is sourced from PubChem (CID 15275461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).