2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone

C10H20N2O2 — CID 83176699

IUPAC2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone
SMILESCC(CCO)NCC(=O)N1CCCC1
InChIInChI=1S/C10H20N2O2/c1-9(4-7-13)11-8-10(14)12-5-2-3-6-12/h9,11,13H,2-8H2,1H3
InChIKeyZTOMFNBKPWIWIO-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.03
Rot. Bonds5

About 2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone

2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone (PubChem CID 83176699) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone
PubChem CID83176699
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone
SMILESCC(CCO)NCC(=O)N1CCCC1
InChIInChI=1S/C10H20N2O2/c1-9(4-7-13)11-8-10(14)12-5-2-3-6-12/h9,11,13H,2-8H2,1H3
InChIKeyZTOMFNBKPWIWIO-UHFFFAOYSA-N
XLogP-0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone
CID 43179556
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
1-(azepan-1-yl)-2-(heptan-2-ylamino)ethanone
CID 60688159
2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 43372218
6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid
CID 65288885
(2S)-2-[[2-(azocan-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194502
3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanamide
CID 115676331
2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone
CID 82938717
2-(3-methylbutan-2-ylamino)-1-piperidin-1-ylethanone
CID 43086362
N,N-dimethyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanamide
CID 60711283
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 106159700
2,5,6-trimethyl-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]heptan-3-one
CID 130315498

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone (CID 83176699) is 2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone is CC(CCO)NCC(=O)N1CCCC1.
What is the InChIKey of 2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone?
The InChIKey is ZTOMFNBKPWIWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(4-7-13)11-8-10(14)12-5-2-3-6-12/h9,11,13H,2-8H2,1H3.
What are the key properties of 2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone?
2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone has a molecular weight of 200.28 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 83176699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).