(3S,4R)-4-amino-3-iodo-N-methyl-5-oxo-5-pyrrolidin-1-ylpentanamide

C10H18IN3O2 — CID 163538785

IUPAC(3S,4R)-4-amino-3-iodo-N-methyl-5-oxo-5-pyrrolidin-1-ylpentanamide
SMILESCNC(=O)C[C@H](I)[C@H](N)C(=O)N1CCCC1
InChIInChI=1S/C10H18IN3O2/c1-13-8(15)6-7(11)9(12)10(16)14-4-2-3-5-14/h7,9H,2-6,12H2,1H3,(H,13,15)/t7-,9-/m0/s1
InChIKeyDZGVAFPKAVSWRZ-CBAPKCEASA-N
MW339.18 g/mol
LogP-0.12
Rot. Bonds4

About (3S,4R)-4-amino-3-iodo-N-methyl-5-oxo-5-pyrrolidin-1-ylpentanamide

(3S,4R)-4-amino-3-iodo-N-methyl-5-oxo-5-pyrrolidin-1-ylpentanamide (PubChem CID 163538785) has the molecular formula C10H18IN3O2 and a molecular weight of 339.18 g/mol. Its IUPAC name is (3S,4R)-4-amino-3-iodo-N-methyl-5-oxo-5-pyrrolidin-1-ylpentanamide.

Molecular Properties

Compound Name(3S,4R)-4-amino-3-iodo-N-methyl-5-oxo-5-pyrrolidin-1-ylpentanamide
PubChem CID163538785
Molecular FormulaC10H18IN3O2
Molecular Weight339.18 g/mol
Exact Mass339.04
IUPAC Name(3S,4R)-4-amino-3-iodo-N-methyl-5-oxo-5-pyrrolidin-1-ylpentanamide
SMILESCNC(=O)C[C@H](I)[C@H](N)C(=O)N1CCCC1
InChIInChI=1S/C10H18IN3O2/c1-13-8(15)6-7(11)9(12)10(16)14-4-2-3-5-14/h7,9H,2-6,12H2,1H3,(H,13,15)/t7-,9-/m0/s1
InChIKeyDZGVAFPKAVSWRZ-CBAPKCEASA-N
XLogP-0.12
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-propyl-1-pyrrolidin-1-ylhexan-1-one
CID 143475334
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CID 93360859
2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 54863272
2-(methylamino)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 60945403
(2R)-2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 79013484
2-(2-aminobutylsulfinyl)-1-pyrrolidin-1-ylpropan-1-one
CID 81195968
(2S)-2-[(1-hydroxycyclobutyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 138016410
1-(azetidin-1-yl)-2-(methylamino)propan-1-one
CID 130546947
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-methylpropanamide
CID 54950929
2-amino-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 20500850
2-[4-(2-aminobutanoyl)piperazin-1-yl]-N-methylacetamide
CID 54869276
3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 116850731

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-amino-3-iodo-N-methyl-5-oxo-5-pyrrolidin-1-ylpentanamide?
The IUPAC name of (3S,4R)-4-amino-3-iodo-N-methyl-5-oxo-5-pyrrolidin-1-ylpentanamide (CID 163538785) is (3S,4R)-4-amino-3-iodo-N-methyl-5-oxo-5-pyrrolidin-1-ylpentanamide.
What is the SMILES notation for (3S,4R)-4-amino-3-iodo-N-methyl-5-oxo-5-pyrrolidin-1-ylpentanamide?
The canonical SMILES for (3S,4R)-4-amino-3-iodo-N-methyl-5-oxo-5-pyrrolidin-1-ylpentanamide is CNC(=O)C[C@H](I)[C@H](N)C(=O)N1CCCC1.
What is the InChIKey of (3S,4R)-4-amino-3-iodo-N-methyl-5-oxo-5-pyrrolidin-1-ylpentanamide?
The InChIKey is DZGVAFPKAVSWRZ-CBAPKCEASA-N. The full InChI is InChI=1S/C10H18IN3O2/c1-13-8(15)6-7(11)9(12)10(16)14-4-2-3-5-14/h7,9H,2-6,12H2,1H3,(H,13,15)/t7-,9-/m0/s1.
What are the key properties of (3S,4R)-4-amino-3-iodo-N-methyl-5-oxo-5-pyrrolidin-1-ylpentanamide?
(3S,4R)-4-amino-3-iodo-N-methyl-5-oxo-5-pyrrolidin-1-ylpentanamide has a molecular weight of 339.18 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-amino-3-iodo-N-methyl-5-oxo-5-pyrrolidin-1-ylpentanamide is sourced from PubChem (CID 163538785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).