4-(3-hydroxybutan-2-ylamino)pyrrolidin-2-one

C8H16N2O2 — CID 106189044

IUPAC4-(3-hydroxybutan-2-ylamino)pyrrolidin-2-one
SMILESCC(O)C(C)NC1CNC(=O)C1
InChIInChI=1S/C8H16N2O2/c1-5(6(2)11)10-7-3-8(12)9-4-7/h5-7,10-11H,3-4H2,1-2H3,(H,9,12)
InChIKeyXLHIGVQDYPZFGZ-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.77
Rot. Bonds3

About 4-(3-hydroxybutan-2-ylamino)pyrrolidin-2-one

4-(3-hydroxybutan-2-ylamino)pyrrolidin-2-one (PubChem CID 106189044) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-(3-hydroxybutan-2-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-hydroxybutan-2-ylamino)pyrrolidin-2-one
PubChem CID106189044
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name4-(3-hydroxybutan-2-ylamino)pyrrolidin-2-one
SMILESCC(O)C(C)NC1CNC(=O)C1
InChIInChI=1S/C8H16N2O2/c1-5(6(2)11)10-7-3-8(12)9-4-7/h5-7,10-11H,3-4H2,1-2H3,(H,9,12)
InChIKeyXLHIGVQDYPZFGZ-UHFFFAOYSA-N
XLogP-0.77
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(but-3-yn-2-ylamino)pyrrolidin-2-one
CID 106189245
4-(1-cyclobutylethylamino)pyrrolidin-2-one
CID 130978828
N,N-diethyl-2-[(5-oxopyrrolidin-3-yl)amino]propanamide
CID 106188940
(4R)-4-(2-methylpropylamino)pyrrolidin-2-one
CID 139457725
2-[(5-oxopyrrolidin-3-yl)amino]butanoic acid
CID 106184659
3-[(5-oxopyrrolidin-3-yl)amino]butanenitrile
CID 105036476
N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]butanimidamide
CID 106189619
4-hydroxy-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106197992
2-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)amino]acetic acid
CID 106190605
2-[(5-oxopyrrolidin-3-yl)amino]butanenitrile
CID 106189208
4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]pyrrolidin-2-one
CID 106188976
N-(5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 106187640

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxybutan-2-ylamino)pyrrolidin-2-one?
The IUPAC name of 4-(3-hydroxybutan-2-ylamino)pyrrolidin-2-one (CID 106189044) is 4-(3-hydroxybutan-2-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 4-(3-hydroxybutan-2-ylamino)pyrrolidin-2-one?
The canonical SMILES for 4-(3-hydroxybutan-2-ylamino)pyrrolidin-2-one is CC(O)C(C)NC1CNC(=O)C1.
What is the InChIKey of 4-(3-hydroxybutan-2-ylamino)pyrrolidin-2-one?
The InChIKey is XLHIGVQDYPZFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-5(6(2)11)10-7-3-8(12)9-4-7/h5-7,10-11H,3-4H2,1-2H3,(H,9,12).
What are the key properties of 4-(3-hydroxybutan-2-ylamino)pyrrolidin-2-one?
4-(3-hydroxybutan-2-ylamino)pyrrolidin-2-one has a molecular weight of 172.23 g/mol, XLogP of -0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxybutan-2-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 106189044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).