2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone

C11H22N2O3 — CID 106159700

IUPAC2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCOCC(CCO)NCC(=O)N1CCCC1
InChIInChI=1S/C11H22N2O3/c1-16-9-10(4-7-14)12-8-11(15)13-5-2-3-6-13/h10,12,14H,2-9H2,1H3
InChIKeyTUXOXIPXENNPRC-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.40
Rot. Bonds7

About 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone

2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 106159700) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID106159700
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCOCC(CCO)NCC(=O)N1CCCC1
InChIInChI=1S/C11H22N2O3/c1-16-9-10(4-7-14)12-8-11(15)13-5-2-3-6-13/h10,12,14H,2-9H2,1H3
InChIKeyTUXOXIPXENNPRC-UHFFFAOYSA-N
XLogP-0.40
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-morpholin-4-ylethanone
CID 106159597
3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 103262728
1-[2-(1-methoxypentan-2-ylamino)acetyl]piperidine-4-carboxylic acid
CID 103253640
N-tert-butyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
CID 106159964
2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 83176699
3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethylpropanoic acid
CID 106159803
1-(azepan-1-yl)-2-(1,3-dihydroxypropan-2-ylamino)ethanone
CID 65314653
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 106159877
methyl (2R)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate
CID 99715442
1-(azepan-1-yl)-2-[(3-hydroxy-4-methoxybutyl)amino]ethanone
CID 114163624
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-methyl-N-propan-2-ylacetamide
CID 106159823
2-(1-hydroxybutan-2-ylamino)-1-piperidin-1-ylethanone
CID 43392797

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone (CID 106159700) is 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone is COCC(CCO)NCC(=O)N1CCCC1.
What is the InChIKey of 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is TUXOXIPXENNPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-16-9-10(4-7-14)12-8-11(15)13-5-2-3-6-13/h10,12,14H,2-9H2,1H3.
What are the key properties of 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone?
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 230.31 g/mol, XLogP of -0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 106159700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).