5-[(3-aminobutanoylamino)methyl]-N,N-dimethyloxolane-2-carboxamide

C12H23N3O3 — CID 120874052

IUPAC5-[(3-aminobutanoylamino)methyl]-N,N-dimethyloxolane-2-carboxamide
SMILESCC(N)CC(=O)NCC1CCC(C(=O)N(C)C)O1
InChIInChI=1S/C12H23N3O3/c1-8(13)6-11(16)14-7-9-4-5-10(18-9)12(17)15(2)3/h8-10H,4-7,13H2,1-3H3,(H,14,16)
InChIKeyJHULHZUHLAJGCH-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.52
Rot. Bonds5

About 5-[(3-aminobutanoylamino)methyl]-N,N-dimethyloxolane-2-carboxamide

5-[(3-aminobutanoylamino)methyl]-N,N-dimethyloxolane-2-carboxamide (PubChem CID 120874052) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 5-[(3-aminobutanoylamino)methyl]-N,N-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound Name5-[(3-aminobutanoylamino)methyl]-N,N-dimethyloxolane-2-carboxamide
PubChem CID120874052
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name5-[(3-aminobutanoylamino)methyl]-N,N-dimethyloxolane-2-carboxamide
SMILESCC(N)CC(=O)NCC1CCC(C(=O)N(C)C)O1
InChIInChI=1S/C12H23N3O3/c1-8(13)6-11(16)14-7-9-4-5-10(18-9)12(17)15(2)3/h8-10H,4-7,13H2,1-3H3,(H,14,16)
InChIKeyJHULHZUHLAJGCH-UHFFFAOYSA-N
XLogP-0.52
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide;hydrochloride
CID 120874053
(2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide
CID 97050721
(2S,5R)-5-[[[2-(2,5-difluorophenyl)acetyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide
CID 97333491
(2R,5R)-5-[[[2-[benzenesulfonyl(methyl)amino]acetyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide
CID 97256959
N,N-dimethyl-5-[(1-thiophen-2-ylethylamino)methyl]oxolane-2-carboxamide
CID 75483143
5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide
CID 119822338
N,N-dimethyl-5-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]oxolane-2-carboxamide
CID 75515785
3-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide
CID 107389487
5-[[(2-propan-2-yloxyacetyl)amino]methyl]oxolane-2-carboxylic acid
CID 112602301
(2R,5S)-N,N-dimethyl-5-[[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]methyl]oxolane-2-carboxamide
CID 99780914
(2S,5S)-5-[[[(1S)-1-(1-benzothiophen-2-yl)ethyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide
CID 129429860
3-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79362858

Frequently Asked Questions

What is the IUPAC name of 5-[(3-aminobutanoylamino)methyl]-N,N-dimethyloxolane-2-carboxamide?
The IUPAC name of 5-[(3-aminobutanoylamino)methyl]-N,N-dimethyloxolane-2-carboxamide (CID 120874052) is 5-[(3-aminobutanoylamino)methyl]-N,N-dimethyloxolane-2-carboxamide.
What is the SMILES notation for 5-[(3-aminobutanoylamino)methyl]-N,N-dimethyloxolane-2-carboxamide?
The canonical SMILES for 5-[(3-aminobutanoylamino)methyl]-N,N-dimethyloxolane-2-carboxamide is CC(N)CC(=O)NCC1CCC(C(=O)N(C)C)O1.
What is the InChIKey of 5-[(3-aminobutanoylamino)methyl]-N,N-dimethyloxolane-2-carboxamide?
The InChIKey is JHULHZUHLAJGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-8(13)6-11(16)14-7-9-4-5-10(18-9)12(17)15(2)3/h8-10H,4-7,13H2,1-3H3,(H,14,16).
What are the key properties of 5-[(3-aminobutanoylamino)methyl]-N,N-dimethyloxolane-2-carboxamide?
5-[(3-aminobutanoylamino)methyl]-N,N-dimethyloxolane-2-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-aminobutanoylamino)methyl]-N,N-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 120874052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).