(2S)-2-amino-1-[(2S,5R)-2-(aminomethyl)-5-prop-1-ynylpyrrolidin-1-yl]-2-cyclopentylethanone

C15H25N3O — CID 11840904

IUPAC(2S)-2-amino-1-[(2S,5R)-2-(aminomethyl)-5-prop-1-ynylpyrrolidin-1-yl]-2-cyclopentylethanone
SMILESCC#C[C@H]1CC[C@@H](CN)N1C(=O)[C@@H](N)C1CCCC1
InChIInChI=1S/C15H25N3O/c1-2-5-12-8-9-13(10-16)18(12)15(19)14(17)11-6-3-4-7-11/h11-14H,3-4,6-10,16-17H2,1H3/t12-,13-,14-/m0/s1
InChIKeyRIKCMKYTGBHVSX-IHRRRGAJSA-N
MW263.38 g/mol
LogP0.85
Rot. Bonds3

About (2S)-2-amino-1-[(2S,5R)-2-(aminomethyl)-5-prop-1-ynylpyrrolidin-1-yl]-2-cyclopentylethanone

(2S)-2-amino-1-[(2S,5R)-2-(aminomethyl)-5-prop-1-ynylpyrrolidin-1-yl]-2-cyclopentylethanone (PubChem CID 11840904) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (2S)-2-amino-1-[(2S,5R)-2-(aminomethyl)-5-prop-1-ynylpyrrolidin-1-yl]-2-cyclopentylethanone.

Molecular Properties

Compound Name(2S)-2-amino-1-[(2S,5R)-2-(aminomethyl)-5-prop-1-ynylpyrrolidin-1-yl]-2-cyclopentylethanone
PubChem CID11840904
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(2S)-2-amino-1-[(2S,5R)-2-(aminomethyl)-5-prop-1-ynylpyrrolidin-1-yl]-2-cyclopentylethanone
SMILESCC#C[C@H]1CC[C@@H](CN)N1C(=O)[C@@H](N)C1CCCC1
InChIInChI=1S/C15H25N3O/c1-2-5-12-8-9-13(10-16)18(12)15(19)14(17)11-6-3-4-7-11/h11-14H,3-4,6-10,16-17H2,1H3/t12-,13-,14-/m0/s1
InChIKeyRIKCMKYTGBHVSX-IHRRRGAJSA-N
XLogP0.85
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(2S,5R)-2-(aminomethyl)-5-prop-1-ynylpyrrolidin-1-yl]-2-cyclopentylethanone?
The IUPAC name of (2S)-2-amino-1-[(2S,5R)-2-(aminomethyl)-5-prop-1-ynylpyrrolidin-1-yl]-2-cyclopentylethanone (CID 11840904) is (2S)-2-amino-1-[(2S,5R)-2-(aminomethyl)-5-prop-1-ynylpyrrolidin-1-yl]-2-cyclopentylethanone.
What is the SMILES notation for (2S)-2-amino-1-[(2S,5R)-2-(aminomethyl)-5-prop-1-ynylpyrrolidin-1-yl]-2-cyclopentylethanone?
The canonical SMILES for (2S)-2-amino-1-[(2S,5R)-2-(aminomethyl)-5-prop-1-ynylpyrrolidin-1-yl]-2-cyclopentylethanone is CC#C[C@H]1CC[C@@H](CN)N1C(=O)[C@@H](N)C1CCCC1.
What is the InChIKey of (2S)-2-amino-1-[(2S,5R)-2-(aminomethyl)-5-prop-1-ynylpyrrolidin-1-yl]-2-cyclopentylethanone?
The InChIKey is RIKCMKYTGBHVSX-IHRRRGAJSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-5-12-8-9-13(10-16)18(12)15(19)14(17)11-6-3-4-7-11/h11-14H,3-4,6-10,16-17H2,1H3/t12-,13-,14-/m0/s1.
What are the key properties of (2S)-2-amino-1-[(2S,5R)-2-(aminomethyl)-5-prop-1-ynylpyrrolidin-1-yl]-2-cyclopentylethanone?
(2S)-2-amino-1-[(2S,5R)-2-(aminomethyl)-5-prop-1-ynylpyrrolidin-1-yl]-2-cyclopentylethanone has a molecular weight of 263.38 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(2S,5R)-2-(aminomethyl)-5-prop-1-ynylpyrrolidin-1-yl]-2-cyclopentylethanone is sourced from PubChem (CID 11840904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).