N-[(S)-amino(hydroxy)methyl]prop-2-enehydrazide

C4H9N3O2 — CID 89318173

IUPACN-[(S)-amino(hydroxy)methyl]prop-2-enehydrazide
SMILESC=CC(=O)N(N)[C@H](N)O
InChIInChI=1S/C4H9N3O2/c1-2-3(8)7(6)4(5)9/h2,4,9H,1,5-6H2/t4-/m0/s1
InChIKeyLLBCNHIEMIMYQP-BYPYZUCNSA-N
MW131.13 g/mol
LogP-1.89
Rot. Bonds2

About N-[(S)-amino(hydroxy)methyl]prop-2-enehydrazide

N-[(S)-amino(hydroxy)methyl]prop-2-enehydrazide (PubChem CID 89318173) has the molecular formula C4H9N3O2 and a molecular weight of 131.13 g/mol. Its IUPAC name is N-[(S)-amino(hydroxy)methyl]prop-2-enehydrazide.

Molecular Properties

Compound NameN-[(S)-amino(hydroxy)methyl]prop-2-enehydrazide
PubChem CID89318173
Molecular FormulaC4H9N3O2
Molecular Weight131.13 g/mol
Exact Mass131.07
IUPAC NameN-[(S)-amino(hydroxy)methyl]prop-2-enehydrazide
SMILESC=CC(=O)N(N)[C@H](N)O
InChIInChI=1S/C4H9N3O2/c1-2-3(8)7(6)4(5)9/h2,4,9H,1,5-6H2/t4-/m0/s1
InChIKeyLLBCNHIEMIMYQP-BYPYZUCNSA-N
XLogP-1.89
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;N-ethenylprop-2-enehydrazide
CID 178026690
N,N-bis(1-hydroxyethyl)prop-2-enamide
CID 22665003
N-(2-aminopropyl)-N-methylprop-2-enamide
CID 130563514
N-(1-aminoprop-2-enyl)-N-prop-2-enylprop-2-enamide
CID 87501695
N,N-bis[hydroxy(phenyl)methyl]prop-2-enamide
CID 67100741
N,N-di(propan-2-yl)prop-2-enamide;ruthenium
CID 90254621
methyl 2-hydroxy-2-[propan-2-yl(prop-2-enoyl)amino]acetate
CID 139781519
N-[2-[di(prop-2-enoyl)amino]ethyl]-N-prop-2-enoylprop-2-enamide
CID 90960823
azane;1-[methyl(prop-2-enoyl)amino]propane-2-sulfonic acid
CID 87438515
N-[(2S)-1,2-dihydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 129044406
2-amino-3-[[(2R)-2-carboxy-2-[di(prop-2-enoyl)amino]ethyl]disulfanyl]propanoic acid
CID 88925480
azane;prop-2-enoic acid
CID 173158019

Frequently Asked Questions

What is the IUPAC name of N-[(S)-amino(hydroxy)methyl]prop-2-enehydrazide?
The IUPAC name of N-[(S)-amino(hydroxy)methyl]prop-2-enehydrazide (CID 89318173) is N-[(S)-amino(hydroxy)methyl]prop-2-enehydrazide.
What is the SMILES notation for N-[(S)-amino(hydroxy)methyl]prop-2-enehydrazide?
The canonical SMILES for N-[(S)-amino(hydroxy)methyl]prop-2-enehydrazide is C=CC(=O)N(N)[C@H](N)O.
What is the InChIKey of N-[(S)-amino(hydroxy)methyl]prop-2-enehydrazide?
The InChIKey is LLBCNHIEMIMYQP-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H9N3O2/c1-2-3(8)7(6)4(5)9/h2,4,9H,1,5-6H2/t4-/m0/s1.
What are the key properties of N-[(S)-amino(hydroxy)methyl]prop-2-enehydrazide?
N-[(S)-amino(hydroxy)methyl]prop-2-enehydrazide has a molecular weight of 131.13 g/mol, XLogP of -1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-amino(hydroxy)methyl]prop-2-enehydrazide is sourced from PubChem (CID 89318173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).