(2R)-2-[(3-methoxycyclobutyl)amino]butan-1-ol

C9H19NO2 — CID 104871999

IUPAC(2R)-2-[(3-methoxycyclobutyl)amino]butan-1-ol
SMILESCC[C@H](CO)NC1CC(OC)C1
InChIInChI=1S/C9H19NO2/c1-3-7(6-11)10-8-4-9(5-8)12-2/h7-11H,3-6H2,1-2H3/t7-,8?,9?/m1/s1
InChIKeyCDFKPWUVMWAMDR-AFPNSQJFSA-N
MW173.26 g/mol
LogP0.52
Rot. Bonds5

About (2R)-2-[(3-methoxycyclobutyl)amino]butan-1-ol

(2R)-2-[(3-methoxycyclobutyl)amino]butan-1-ol (PubChem CID 104871999) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2R)-2-[(3-methoxycyclobutyl)amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(3-methoxycyclobutyl)amino]butan-1-ol
PubChem CID104871999
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2R)-2-[(3-methoxycyclobutyl)amino]butan-1-ol
SMILESCC[C@H](CO)NC1CC(OC)C1
InChIInChI=1S/C9H19NO2/c1-3-7(6-11)10-8-4-9(5-8)12-2/h7-11H,3-6H2,1-2H3/t7-,8?,9?/m1/s1
InChIKeyCDFKPWUVMWAMDR-AFPNSQJFSA-N
XLogP0.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethoxycyclobutyl)amino]butan-1-ol
CID 112552968
(2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol
CID 124576040
2-[(3-methoxycyclobutyl)amino]-N-pentan-3-ylpropanamide
CID 104589297
(2S)-2-(cyclooctylamino)butan-1-ol
CID 28723227
4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol
CID 106595214
3-[(3-methoxycyclobutyl)amino]-4-methylpentan-1-ol
CID 104871769
(2S)-2-[[(1S,5R)-3,3,5-trimethylcyclohexyl]amino]butan-1-ol
CID 92985928
(2S)-2-(pyrrolidin-3-ylamino)butan-1-ol
CID 104980875
(2S)-2-[[(3R)-thiolan-3-yl]amino]butan-1-ol
CID 28723252
(2R)-2-(oxolan-3-ylamino)butan-1-ol
CID 103922432
(2R)-2-[(4-propylcyclohexyl)amino]butan-1-ol
CID 28724606
2-(pyrrolidin-3-ylamino)butan-1-ol
CID 79724018

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-methoxycyclobutyl)amino]butan-1-ol?
The IUPAC name of (2R)-2-[(3-methoxycyclobutyl)amino]butan-1-ol (CID 104871999) is (2R)-2-[(3-methoxycyclobutyl)amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(3-methoxycyclobutyl)amino]butan-1-ol?
The canonical SMILES for (2R)-2-[(3-methoxycyclobutyl)amino]butan-1-ol is CC[C@H](CO)NC1CC(OC)C1.
What is the InChIKey of (2R)-2-[(3-methoxycyclobutyl)amino]butan-1-ol?
The InChIKey is CDFKPWUVMWAMDR-AFPNSQJFSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-7(6-11)10-8-4-9(5-8)12-2/h7-11H,3-6H2,1-2H3/t7-,8?,9?/m1/s1.
What are the key properties of (2R)-2-[(3-methoxycyclobutyl)amino]butan-1-ol?
(2R)-2-[(3-methoxycyclobutyl)amino]butan-1-ol has a molecular weight of 173.26 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-methoxycyclobutyl)amino]butan-1-ol is sourced from PubChem (CID 104871999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).