(2-carbamoylhydrazinyl) (2S)-pyrrolidine-2-carboxylate

C6H12N4O3 — CID 57173550

IUPAC(2-carbamoylhydrazinyl) (2S)-pyrrolidine-2-carboxylate
SMILESNC(=O)NNOC(=O)[C@@H]1CCCN1
InChIInChI=1S/C6H12N4O3/c7-6(12)9-10-13-5(11)4-2-1-3-8-4/h4,8,10H,1-3H2,(H3,7,9,12)/t4-/m0/s1
InChIKeyKNFZDGWXNRGMHZ-BYPYZUCNSA-N
MW188.19 g/mol
LogP-1.63
Rot. Bonds3

About (2-carbamoylhydrazinyl) (2S)-pyrrolidine-2-carboxylate

(2-carbamoylhydrazinyl) (2S)-pyrrolidine-2-carboxylate (PubChem CID 57173550) has the molecular formula C6H12N4O3 and a molecular weight of 188.19 g/mol. Its IUPAC name is (2-carbamoylhydrazinyl) (2S)-pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2-carbamoylhydrazinyl) (2S)-pyrrolidine-2-carboxylate
PubChem CID57173550
Molecular FormulaC6H12N4O3
Molecular Weight188.19 g/mol
Exact Mass188.09
IUPAC Name(2-carbamoylhydrazinyl) (2S)-pyrrolidine-2-carboxylate
SMILESNC(=O)NNOC(=O)[C@@H]1CCCN1
InChIInChI=1S/C6H12N4O3/c7-6(12)9-10-13-5(11)4-2-1-3-8-4/h4,8,10H,1-3H2,(H3,7,9,12)/t4-/m0/s1
InChIKeyKNFZDGWXNRGMHZ-BYPYZUCNSA-N
XLogP-1.63
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate
CID 57156307
[(2-phosphorosoacetyl)amino] (2S)-pyrrolidine-2-carboxylate
CID 91148512
ethane;methanol;methyl pyrrolidine-2-carboxylate
CID 144894204
chloromethyl pyrrolidine-2-carboxylate
CID 68787302
2-aminoethyl pyrrolidine-2-carboxylate
CID 91476138
(4-oxobutanoylamino) pyrrolidine-2-carboxylate
CID 172627054
pyrrolidine-2-carboxamide;dihydrobromide
CID 70056458
[(2R)-pyrrolidin-2-yl] (2R)-pyrrolidine-2-carboxylate
CID 162533154
CID 123220286
CID 123220286
methyl pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid
CID 161244397
(2S)-pyrrolidine-2-carboxylic acid;urea
CID 11629677
CID 175049313
CID 175049313

Frequently Asked Questions

What is the IUPAC name of (2-carbamoylhydrazinyl) (2S)-pyrrolidine-2-carboxylate?
The IUPAC name of (2-carbamoylhydrazinyl) (2S)-pyrrolidine-2-carboxylate (CID 57173550) is (2-carbamoylhydrazinyl) (2S)-pyrrolidine-2-carboxylate.
What is the SMILES notation for (2-carbamoylhydrazinyl) (2S)-pyrrolidine-2-carboxylate?
The canonical SMILES for (2-carbamoylhydrazinyl) (2S)-pyrrolidine-2-carboxylate is NC(=O)NNOC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2-carbamoylhydrazinyl) (2S)-pyrrolidine-2-carboxylate?
The InChIKey is KNFZDGWXNRGMHZ-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H12N4O3/c7-6(12)9-10-13-5(11)4-2-1-3-8-4/h4,8,10H,1-3H2,(H3,7,9,12)/t4-/m0/s1.
What are the key properties of (2-carbamoylhydrazinyl) (2S)-pyrrolidine-2-carboxylate?
(2-carbamoylhydrazinyl) (2S)-pyrrolidine-2-carboxylate has a molecular weight of 188.19 g/mol, XLogP of -1.63, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoylhydrazinyl) (2S)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 57173550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).