N-carbamoyl-2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanamide

C11H22N4O3 — CID 66053769

IUPACN-carbamoyl-2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanamide
SMILESCC(C(=O)NC(N)=O)N1CC(O)CC1CN(C)C
InChIInChI=1S/C11H22N4O3/c1-7(10(17)13-11(12)18)15-6-9(16)4-8(15)5-14(2)3/h7-9,16H,4-6H2,1-3H3,(H3,12,13,17,18)
InChIKeyPPIUBIKSLWBYMV-UHFFFAOYSA-N
MW258.32 g/mol
LogP-1.43
Rot. Bonds4

About N-carbamoyl-2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanamide

N-carbamoyl-2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanamide (PubChem CID 66053769) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-carbamoyl-2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanamide
PubChem CID66053769
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC NameN-carbamoyl-2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanamide
SMILESCC(C(=O)NC(N)=O)N1CC(O)CC1CN(C)C
InChIInChI=1S/C11H22N4O3/c1-7(10(17)13-11(12)18)15-6-9(16)4-8(15)5-14(2)3/h7-9,16H,4-6H2,1-3H3,(H3,12,13,17,18)
InChIKeyPPIUBIKSLWBYMV-UHFFFAOYSA-N
XLogP-1.43
TPSA98.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanamide?
The IUPAC name of N-carbamoyl-2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanamide (CID 66053769) is N-carbamoyl-2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-carbamoyl-2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanamide?
The canonical SMILES for N-carbamoyl-2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanamide is CC(C(=O)NC(N)=O)N1CC(O)CC1CN(C)C.
What is the InChIKey of N-carbamoyl-2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanamide?
The InChIKey is PPIUBIKSLWBYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-7(10(17)13-11(12)18)15-6-9(16)4-8(15)5-14(2)3/h7-9,16H,4-6H2,1-3H3,(H3,12,13,17,18).
What are the key properties of N-carbamoyl-2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanamide?
N-carbamoyl-2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanamide has a molecular weight of 258.32 g/mol, XLogP of -1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanamide is sourced from PubChem (CID 66053769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).