(1S,2S,4S)-4-amino-2-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]cyclopentan-1-ol

C12H20N4O — CID 167812366

IUPAC(1S,2S,4S)-4-amino-2-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]cyclopentan-1-ol
SMILESN[C@@H]1C[C@H](O)[C@@H](N2CCC(c3ncc[nH]3)C2)C1
InChIInChI=1S/C12H20N4O/c13-9-5-10(11(17)6-9)16-4-1-8(7-16)12-14-2-3-15-12/h2-3,8-11,17H,1,4-7,13H2,(H,14,15)/t8?,9-,10-,11-/m0/s1
InChIKeyBSRQMVHSEJNKBE-KQFSYOIOSA-N
MW236.32 g/mol
LogP0.05
Rot. Bonds2

About (1S,2S,4S)-4-amino-2-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]cyclopentan-1-ol

(1S,2S,4S)-4-amino-2-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]cyclopentan-1-ol (PubChem CID 167812366) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (1S,2S,4S)-4-amino-2-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,4S)-4-amino-2-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]cyclopentan-1-ol
PubChem CID167812366
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(1S,2S,4S)-4-amino-2-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]cyclopentan-1-ol
SMILESN[C@@H]1C[C@H](O)[C@@H](N2CCC(c3ncc[nH]3)C2)C1
InChIInChI=1S/C12H20N4O/c13-9-5-10(11(17)6-9)16-4-1-8(7-16)12-14-2-3-15-12/h2-3,8-11,17H,1,4-7,13H2,(H,14,15)/t8?,9-,10-,11-/m0/s1
InChIKeyBSRQMVHSEJNKBE-KQFSYOIOSA-N
XLogP0.05
TPSA78.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-4-amino-2-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]cyclopentan-1-ol?
The IUPAC name of (1S,2S,4S)-4-amino-2-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]cyclopentan-1-ol (CID 167812366) is (1S,2S,4S)-4-amino-2-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]cyclopentan-1-ol.
What is the SMILES notation for (1S,2S,4S)-4-amino-2-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]cyclopentan-1-ol?
The canonical SMILES for (1S,2S,4S)-4-amino-2-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]cyclopentan-1-ol is N[C@@H]1C[C@H](O)[C@@H](N2CCC(c3ncc[nH]3)C2)C1.
What is the InChIKey of (1S,2S,4S)-4-amino-2-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]cyclopentan-1-ol?
The InChIKey is BSRQMVHSEJNKBE-KQFSYOIOSA-N. The full InChI is InChI=1S/C12H20N4O/c13-9-5-10(11(17)6-9)16-4-1-8(7-16)12-14-2-3-15-12/h2-3,8-11,17H,1,4-7,13H2,(H,14,15)/t8?,9-,10-,11-/m0/s1.
What are the key properties of (1S,2S,4S)-4-amino-2-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]cyclopentan-1-ol?
(1S,2S,4S)-4-amino-2-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]cyclopentan-1-ol has a molecular weight of 236.32 g/mol, XLogP of 0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-4-amino-2-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 167812366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).