(2S)-3-methyl-2-(pyrrolidin-3-ylamino)butan-1-ol

C9H20N2O — CID 79742166

IUPAC(2S)-3-methyl-2-(pyrrolidin-3-ylamino)butan-1-ol
SMILESCC(C)[C@@H](CO)NC1CCNC1
InChIInChI=1S/C9H20N2O/c1-7(2)9(6-12)11-8-3-4-10-5-8/h7-12H,3-6H2,1-2H3/t8?,9-/m1/s1
InChIKeyAUZPZRMFHXPHQA-YGPZHTELSA-N
MW172.27 g/mol
LogP-0.05
Rot. Bonds4

About (2S)-3-methyl-2-(pyrrolidin-3-ylamino)butan-1-ol

(2S)-3-methyl-2-(pyrrolidin-3-ylamino)butan-1-ol (PubChem CID 79742166) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S)-3-methyl-2-(pyrrolidin-3-ylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-(pyrrolidin-3-ylamino)butan-1-ol
PubChem CID79742166
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(2S)-3-methyl-2-(pyrrolidin-3-ylamino)butan-1-ol
SMILESCC(C)[C@@H](CO)NC1CCNC1
InChIInChI=1S/C9H20N2O/c1-7(2)9(6-12)11-8-3-4-10-5-8/h7-12H,3-6H2,1-2H3/t8?,9-/m1/s1
InChIKeyAUZPZRMFHXPHQA-YGPZHTELSA-N
XLogP-0.05
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyrrolidin-3-ylamino)butan-1-ol
CID 79724018
(2S)-2-(pyrrolidin-3-ylamino)butan-1-ol
CID 104980875
(3R)-N-propan-2-ylpyrrolidin-3-amine
CID 53346611
(2S)-3-methyl-2-[(1-methylpiperidin-4-yl)amino]butan-1-ol
CID 79253287
2-(pyrrolidin-3-ylamino)propanoic acid
CID 66810239
(2S)-2-[(4,4-dimethylcyclohexyl)amino]-3-methylbutan-1-ol
CID 79254694
1-[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]piperidin-1-yl]ethanone
CID 79254180
3-(azepan-4-ylamino)-4-methylpentan-1-ol
CID 106348666
2-[(3-aminocyclobutyl)amino]-3-methylbutan-1-ol
CID 80562093
4-[(1-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxamide
CID 79253533
4-[(1-hydroxy-3-methylbutan-2-yl)amino]azepan-2-one
CID 79250119
ethyl 2-(pyrrolidin-3-ylamino)propanoate
CID 79741945

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(pyrrolidin-3-ylamino)butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-(pyrrolidin-3-ylamino)butan-1-ol (CID 79742166) is (2S)-3-methyl-2-(pyrrolidin-3-ylamino)butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-(pyrrolidin-3-ylamino)butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-(pyrrolidin-3-ylamino)butan-1-ol is CC(C)[C@@H](CO)NC1CCNC1.
What is the InChIKey of (2S)-3-methyl-2-(pyrrolidin-3-ylamino)butan-1-ol?
The InChIKey is AUZPZRMFHXPHQA-YGPZHTELSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)9(6-12)11-8-3-4-10-5-8/h7-12H,3-6H2,1-2H3/t8?,9-/m1/s1.
What are the key properties of (2S)-3-methyl-2-(pyrrolidin-3-ylamino)butan-1-ol?
(2S)-3-methyl-2-(pyrrolidin-3-ylamino)butan-1-ol has a molecular weight of 172.27 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(pyrrolidin-3-ylamino)butan-1-ol is sourced from PubChem (CID 79742166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).