3-pyrrolidin-1-ylpropyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate

C15H25N3O2 — CID 61494361

IUPAC3-pyrrolidin-1-ylpropyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
SMILESCC(C)n1cc(N)cc1C(=O)OCCCN1CCCC1
InChIInChI=1S/C15H25N3O2/c1-12(2)18-11-13(16)10-14(18)15(19)20-9-5-8-17-6-3-4-7-17/h10-12H,3-9,16H2,1-2H3
InChIKeyNFKCTIKBZFAYHL-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.29
Rot. Bonds6

About 3-pyrrolidin-1-ylpropyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate

3-pyrrolidin-1-ylpropyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate (PubChem CID 61494361) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylpropyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate.

Molecular Properties

Compound Name3-pyrrolidin-1-ylpropyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
PubChem CID61494361
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-pyrrolidin-1-ylpropyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
SMILESCC(C)n1cc(N)cc1C(=O)OCCCN1CCCC1
InChIInChI=1S/C15H25N3O2/c1-12(2)18-11-13(16)10-14(18)15(19)20-9-5-8-17-6-3-4-7-17/h10-12H,3-9,16H2,1-2H3
InChIKeyNFKCTIKBZFAYHL-UHFFFAOYSA-N
XLogP2.29
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpiperazin-1-yl)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 82888463
4-methylpentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61310055
ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 45089372
2-(2-hydroxyethoxy)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61316444
[3-oxo-3-(propan-2-ylamino)propyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 62626979
2-pyrrolidin-1-ylethyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 107913367
[3-(cyclopropylamino)-3-oxopropyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 62627964
2-(1-methylimidazol-2-yl)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 114531057
cyclopentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61309615
3-pyrrolidin-1-ylpropyl 5-amino-2,4-dimethylbenzoate
CID 102706208
3-pyrrolidin-1-ylpropyl 2-(3-aminophenyl)propanoate
CID 106592484
[2-(butylamino)-2-oxoethyl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61485933

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-ylpropyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The IUPAC name of 3-pyrrolidin-1-ylpropyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate (CID 61494361) is 3-pyrrolidin-1-ylpropyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate.
What is the SMILES notation for 3-pyrrolidin-1-ylpropyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The canonical SMILES for 3-pyrrolidin-1-ylpropyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate is CC(C)n1cc(N)cc1C(=O)OCCCN1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-ylpropyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
The InChIKey is NFKCTIKBZFAYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12(2)18-11-13(16)10-14(18)15(19)20-9-5-8-17-6-3-4-7-17/h10-12H,3-9,16H2,1-2H3.
What are the key properties of 3-pyrrolidin-1-ylpropyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate?
3-pyrrolidin-1-ylpropyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylpropyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate is sourced from PubChem (CID 61494361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).