[(2S)-2-amino-3-hydrazinyl-3-oxopropyl]urea

C4H11N5O2 — CID 175144137

IUPAC[(2S)-2-amino-3-hydrazinyl-3-oxopropyl]urea
SMILESNNC(=O)[C@@H](N)CNC(N)=O
InChIInChI=1S/C4H11N5O2/c5-2(3(10)9-7)1-8-4(6)11/h2H,1,5,7H2,(H,9,10)(H3,6,8,11)/t2-/m0/s1
InChIKeyJUONZLSXBWHHEO-REOHCLBHSA-N
MW161.16 g/mol
LogP-3.03
Rot. Bonds3

About [(2S)-2-amino-3-hydrazinyl-3-oxopropyl]urea

[(2S)-2-amino-3-hydrazinyl-3-oxopropyl]urea (PubChem CID 175144137) has the molecular formula C4H11N5O2 and a molecular weight of 161.16 g/mol. Its IUPAC name is [(2S)-2-amino-3-hydrazinyl-3-oxopropyl]urea.

Molecular Properties

Compound Name[(2S)-2-amino-3-hydrazinyl-3-oxopropyl]urea
PubChem CID175144137
Molecular FormulaC4H11N5O2
Molecular Weight161.16 g/mol
Exact Mass161.09
IUPAC Name[(2S)-2-amino-3-hydrazinyl-3-oxopropyl]urea
SMILESNNC(=O)[C@@H](N)CNC(N)=O
InChIInChI=1S/C4H11N5O2/c5-2(3(10)9-7)1-8-4(6)11/h2H,1,5,7H2,(H,9,10)(H3,6,8,11)/t2-/m0/s1
InChIKeyJUONZLSXBWHHEO-REOHCLBHSA-N
XLogP-3.03
TPSA136.26 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-3.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-(carbamoylamino)propanoic acid;hydrochloride
CID 24854389
2-aminobutanedihydrazide
CID 13018203
(2R)-2-aminopentanedihydrazide
CID 13018201
3-amino-4-hydrazinyl-4-oxobutanoic acid
CID 18780182
3-amino-4-hydrazinyl-4-oxobutanoic acid;dihydrochloride
CID 138991140
4-amino-5-hydrazinyl-5-oxopentanoic acid
CID 19915596
[(2R)-2,3-dihydroxypropyl]urea
CID 88558789
2-amino-3-[2-(carbamoylamino)ethylamino]propanamide
CID 103262445
[(2R)-1-(carbamoylamino)propan-2-yl]urea
CID 3246036
2-methylbutylurea
CID 22179633
(2S)-2-amino-4-methylpentanehydrazide;bromo hypobromite
CID 158164073
2-aminohexylurea
CID 171485886

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-3-hydrazinyl-3-oxopropyl]urea?
The IUPAC name of [(2S)-2-amino-3-hydrazinyl-3-oxopropyl]urea (CID 175144137) is [(2S)-2-amino-3-hydrazinyl-3-oxopropyl]urea.
What is the SMILES notation for [(2S)-2-amino-3-hydrazinyl-3-oxopropyl]urea?
The canonical SMILES for [(2S)-2-amino-3-hydrazinyl-3-oxopropyl]urea is NNC(=O)[C@@H](N)CNC(N)=O.
What is the InChIKey of [(2S)-2-amino-3-hydrazinyl-3-oxopropyl]urea?
The InChIKey is JUONZLSXBWHHEO-REOHCLBHSA-N. The full InChI is InChI=1S/C4H11N5O2/c5-2(3(10)9-7)1-8-4(6)11/h2H,1,5,7H2,(H,9,10)(H3,6,8,11)/t2-/m0/s1.
What are the key properties of [(2S)-2-amino-3-hydrazinyl-3-oxopropyl]urea?
[(2S)-2-amino-3-hydrazinyl-3-oxopropyl]urea has a molecular weight of 161.16 g/mol, XLogP of -3.03, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-amino-3-hydrazinyl-3-oxopropyl]urea is sourced from PubChem (CID 175144137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).