hydrazinyl 3-(2-methylpyrrolidin-1-yl)propanoate

C8H17N3O2 — CID 66339308

IUPAChydrazinyl 3-(2-methylpyrrolidin-1-yl)propanoate
SMILESCC1CCCN1CCC(=O)ONN
InChIInChI=1S/C8H17N3O2/c1-7-3-2-5-11(7)6-4-8(12)13-10-9/h7,10H,2-6,9H2,1H3
InChIKeyRIWANQNVXKKCKY-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.22
Rot. Bonds4

About hydrazinyl 3-(2-methylpyrrolidin-1-yl)propanoate

hydrazinyl 3-(2-methylpyrrolidin-1-yl)propanoate (PubChem CID 66339308) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is hydrazinyl 3-(2-methylpyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(2-methylpyrrolidin-1-yl)propanoate
PubChem CID66339308
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Namehydrazinyl 3-(2-methylpyrrolidin-1-yl)propanoate
SMILESCC1CCCN1CCC(=O)ONN
InChIInChI=1S/C8H17N3O2/c1-7-3-2-5-11(7)6-4-8(12)13-10-9/h7,10H,2-6,9H2,1H3
InChIKeyRIWANQNVXKKCKY-UHFFFAOYSA-N
XLogP-0.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

hydrazinyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propanoate
CID 66337122
hydrazinyl 3-(2-ethylpiperidin-1-yl)propanoate
CID 66337668
methyl 3-(2-methylazepan-1-yl)propanoate;hydrochloride
CID 20846518
3-(2-methylpiperidin-1-yl)propanehydrazide
CID 60676133
hydrazinyl 3-(4-methylpiperidin-1-yl)propanoate
CID 66337111
3-(2-methylpiperidin-1-yl)propanamide
CID 15121454
hydrazinyl 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)propanoate
CID 66339147
hydrazinyl 3-(3-ethylpiperidin-1-yl)propanoate
CID 66339133
hydrazinyl 3-(4-propan-2-ylazepan-1-yl)propanoate
CID 66339331
6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid
CID 174674444
hydrazinyl 3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
CID 66337320
N-[2-(2-methylpyrrolidin-1-yl)ethyl]acetamide;hydrochloride
CID 130686018

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(2-methylpyrrolidin-1-yl)propanoate?
The IUPAC name of hydrazinyl 3-(2-methylpyrrolidin-1-yl)propanoate (CID 66339308) is hydrazinyl 3-(2-methylpyrrolidin-1-yl)propanoate.
What is the SMILES notation for hydrazinyl 3-(2-methylpyrrolidin-1-yl)propanoate?
The canonical SMILES for hydrazinyl 3-(2-methylpyrrolidin-1-yl)propanoate is CC1CCCN1CCC(=O)ONN.
What is the InChIKey of hydrazinyl 3-(2-methylpyrrolidin-1-yl)propanoate?
The InChIKey is RIWANQNVXKKCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-7-3-2-5-11(7)6-4-8(12)13-10-9/h7,10H,2-6,9H2,1H3.
What are the key properties of hydrazinyl 3-(2-methylpyrrolidin-1-yl)propanoate?
hydrazinyl 3-(2-methylpyrrolidin-1-yl)propanoate has a molecular weight of 187.24 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(2-methylpyrrolidin-1-yl)propanoate is sourced from PubChem (CID 66339308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).