4-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropoxy]benzamide

C14H19N3O3 — CID 124699526

IUPAC4-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropoxy]benzamide
SMILESNC(=O)c1ccc(OCCC(=O)N2CC[C@H](N)C2)cc1
InChIInChI=1S/C14H19N3O3/c15-11-5-7-17(9-11)13(18)6-8-20-12-3-1-10(2-4-12)14(16)19/h1-4,11H,5-9,15H2,(H2,16,19)/t11-/m0/s1
InChIKeyQUBDIVLXXMLGGV-NSHDSACASA-N
MW277.32 g/mol
LogP0.11
Rot. Bonds5

About 4-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropoxy]benzamide

4-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropoxy]benzamide (PubChem CID 124699526) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropoxy]benzamide.

Molecular Properties

Compound Name4-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropoxy]benzamide
PubChem CID124699526
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropoxy]benzamide
SMILESNC(=O)c1ccc(OCCC(=O)N2CC[C@H](N)C2)cc1
InChIInChI=1S/C14H19N3O3/c15-11-5-7-17(9-11)13(18)6-8-20-12-3-1-10(2-4-12)14(16)19/h1-4,11H,5-9,15H2,(H2,16,19)/t11-/m0/s1
InChIKeyQUBDIVLXXMLGGV-NSHDSACASA-N
XLogP0.11
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119410911
1-[(3R)-3-aminopyrrolidin-1-yl]-4-(4-fluorophenoxy)butan-1-one;hydrochloride
CID 119410463
1-(3-aminopiperidin-1-yl)-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 119377741
1-(4-aminopiperidin-1-yl)-3-(4-chlorophenoxy)propan-1-one;hydrochloride
CID 119373511
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 119483773
3-(4-fluorophenoxy)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 62370418
1-(3-aminopiperidin-1-yl)-4-(4-propoxyphenyl)butane-1,4-dione
CID 119377036
3-(4-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 107209792
4-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]benzamide
CID 119632269
1-(4-amino-3-ethylpiperidin-1-yl)-3-phenoxypropan-1-one
CID 81458301
[(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119412519
4-(4-acetylphenoxy)-1-[3-(aminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119483805

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropoxy]benzamide?
The IUPAC name of 4-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropoxy]benzamide (CID 124699526) is 4-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropoxy]benzamide.
What is the SMILES notation for 4-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropoxy]benzamide?
The canonical SMILES for 4-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropoxy]benzamide is NC(=O)c1ccc(OCCC(=O)N2CC[C@H](N)C2)cc1.
What is the InChIKey of 4-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropoxy]benzamide?
The InChIKey is QUBDIVLXXMLGGV-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O3/c15-11-5-7-17(9-11)13(18)6-8-20-12-3-1-10(2-4-12)14(16)19/h1-4,11H,5-9,15H2,(H2,16,19)/t11-/m0/s1.
What are the key properties of 4-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropoxy]benzamide?
4-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropoxy]benzamide has a molecular weight of 277.32 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropoxy]benzamide is sourced from PubChem (CID 124699526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).