2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanoic acid

C11H22N2O3 — CID 66056021

IUPAC2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1CC(O)CC1CN(C)C
InChIInChI=1S/C11H22N2O3/c1-4-10(11(15)16)13-7-9(14)5-8(13)6-12(2)3/h8-10,14H,4-7H2,1-3H3,(H,15,16)
InChIKeyHUUPDLKJPSSZEM-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.15
Rot. Bonds5

About 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanoic acid

2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanoic acid (PubChem CID 66056021) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanoic acid
PubChem CID66056021
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1CC(O)CC1CN(C)C
InChIInChI=1S/C11H22N2O3/c1-4-10(11(15)16)13-7-9(14)5-8(13)6-12(2)3/h8-10,14H,4-7H2,1-3H3,(H,15,16)
InChIKeyHUUPDLKJPSSZEM-UHFFFAOYSA-N
XLogP-0.15
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanamide
CID 66057242
5-[(dimethylamino)methyl]-1-pentan-2-ylpyrrolidin-3-ol
CID 107886038
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pentanenitrile
CID 66056198
2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]butanoic acid
CID 66052740
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypentanimidamide
CID 77111703
N-carbamoyl-2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanamide
CID 66053769
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-phenylpropanamide
CID 66053783
2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]pentanoic acid
CID 66052159
2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]propanoic acid
CID 66052545
2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]hexanoic acid
CID 66052543
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-diethyl-4-oxobutanoic acid
CID 66056195
2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056203

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanoic acid?
The IUPAC name of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanoic acid (CID 66056021) is 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanoic acid.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanoic acid?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanoic acid is CCC(C(=O)O)N1CC(O)CC1CN(C)C.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanoic acid?
The InChIKey is HUUPDLKJPSSZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-10(11(15)16)13-7-9(14)5-8(13)6-12(2)3/h8-10,14H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanoic acid?
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanoic acid has a molecular weight of 230.31 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanoic acid is sourced from PubChem (CID 66056021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).