cis-(1S,2S)-2-amino-1-methylcyclopentan-1-ol

C6H13NO — CID 58525281

IUPACcis-(1S,2S)-2-amino-1-methylcyclopentan-1-ol
SMILESC[C@]1(O)CCC[C@@H]1N
InChIInChI=1S/C6H13NO/c1-6(8)4-2-3-5(6)7/h5,8H,2-4,7H2,1H3/t5-,6-/m0/s1
InChIKeyKKBCPZUWBKCECT-WDSKDSINSA-N
MW115.18 g/mol
LogP0.25
Rot. Bonds

About cis-(1S,2S)-2-amino-1-methylcyclopentan-1-ol

cis-(1S,2S)-2-amino-1-methylcyclopentan-1-ol (PubChem CID 58525281) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is cis-(1S,2S)-2-amino-1-methylcyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-2-amino-1-methylcyclopentan-1-ol
PubChem CID58525281
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Namecis-(1S,2S)-2-amino-1-methylcyclopentan-1-ol
SMILESC[C@]1(O)CCC[C@@H]1N
InChIInChI=1S/C6H13NO/c1-6(8)4-2-3-5(6)7/h5,8H,2-4,7H2,1H3/t5-,6-/m0/s1
InChIKeyKKBCPZUWBKCECT-WDSKDSINSA-N
XLogP0.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-amino-1-methylcyclopentan-1-ol?
The IUPAC name of cis-(1S,2S)-2-amino-1-methylcyclopentan-1-ol (CID 58525281) is cis-(1S,2S)-2-amino-1-methylcyclopentan-1-ol.
What is the SMILES notation for cis-(1S,2S)-2-amino-1-methylcyclopentan-1-ol?
The canonical SMILES for cis-(1S,2S)-2-amino-1-methylcyclopentan-1-ol is C[C@]1(O)CCC[C@@H]1N.
What is the InChIKey of cis-(1S,2S)-2-amino-1-methylcyclopentan-1-ol?
The InChIKey is KKBCPZUWBKCECT-WDSKDSINSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(8)4-2-3-5(6)7/h5,8H,2-4,7H2,1H3/t5-,6-/m0/s1.
What are the key properties of cis-(1S,2S)-2-amino-1-methylcyclopentan-1-ol?
cis-(1S,2S)-2-amino-1-methylcyclopentan-1-ol has a molecular weight of 115.18 g/mol, XLogP of 0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-amino-1-methylcyclopentan-1-ol is sourced from PubChem (CID 58525281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).