(3R)-3-amino-4-methoxybutan-1-ol

C5H13NO2 — CID 95241115

IUPAC(3R)-3-amino-4-methoxybutan-1-ol
SMILESCOC[C@H](N)CCO
InChIInChI=1S/C5H13NO2/c1-8-4-5(6)2-3-7/h5,7H,2-4,6H2,1H3/t5-/m1/s1
InChIKeyRJJKIMBTZBWVMC-RXMQYKEDSA-N
MW119.16 g/mol
LogP-0.66
Rot. Bonds4

About (3R)-3-amino-4-methoxybutan-1-ol

(3R)-3-amino-4-methoxybutan-1-ol (PubChem CID 95241115) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is (3R)-3-amino-4-methoxybutan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-4-methoxybutan-1-ol
PubChem CID95241115
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name(3R)-3-amino-4-methoxybutan-1-ol
SMILESCOC[C@H](N)CCO
InChIInChI=1S/C5H13NO2/c1-8-4-5(6)2-3-7/h5,7H,2-4,6H2,1H3/t5-/m1/s1
InChIKeyRJJKIMBTZBWVMC-RXMQYKEDSA-N
XLogP-0.66
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-fluoro-3-methoxypropan-2-amine
CID 22789989
(3S)-4-methoxy-3-methylbutan-1-ol
CID 87593216
4-ethoxy-1-methoxybutan-2-amine
CID 115601761
(2S)-1-methoxy-4-methylselanylbutan-2-amine
CID 141286131
1-methoxy-6-methylheptan-2-amine
CID 62320003
3-amino-4-(4-propoxyphenoxy)butan-1-ol
CID 64899439
1-chloro-3-methoxypropan-2-amine
CID 106180958
1-methoxypropan-2-yl (2S)-2-amino-4-hydroxybutanoate
CID 107825394
(2S)-2-aminobutane-1,4-diol;hydrochloride
CID 91654406
3-(1-methoxypropan-2-ylamino)-4-methylpentan-1-ol
CID 115724585
(2S,3S)-1,4-dimethoxybutane-2,3-diamine
CID 11051828
1-methoxypropan-2-amine;prop-2-yn-1-ol
CID 145189711

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-methoxybutan-1-ol?
The IUPAC name of (3R)-3-amino-4-methoxybutan-1-ol (CID 95241115) is (3R)-3-amino-4-methoxybutan-1-ol.
What is the SMILES notation for (3R)-3-amino-4-methoxybutan-1-ol?
The canonical SMILES for (3R)-3-amino-4-methoxybutan-1-ol is COC[C@H](N)CCO.
What is the InChIKey of (3R)-3-amino-4-methoxybutan-1-ol?
The InChIKey is RJJKIMBTZBWVMC-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H13NO2/c1-8-4-5(6)2-3-7/h5,7H,2-4,6H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-3-amino-4-methoxybutan-1-ol?
(3R)-3-amino-4-methoxybutan-1-ol has a molecular weight of 119.16 g/mol, XLogP of -0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-methoxybutan-1-ol is sourced from PubChem (CID 95241115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).