(2S,4S)-4-amino-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide

C11H23N3O2 — CID 118760263

IUPAC(2S,4S)-4-amino-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1C[C@H](N)CN1C(C)C
InChIInChI=1S/C11H23N3O2/c1-8(2)14-7-9(12)6-10(14)11(15)13-4-5-16-3/h8-10H,4-7,12H2,1-3H3,(H,13,15)/t9-,10-/m0/s1
InChIKeyCCDPHZXXEUMXAC-UWVGGRQHSA-N
MW229.32 g/mol
LogP-0.44
Rot. Bonds5

About (2S,4S)-4-amino-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide

(2S,4S)-4-amino-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 118760263) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2S,4S)-4-amino-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID118760263
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(2S,4S)-4-amino-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1C[C@H](N)CN1C(C)C
InChIInChI=1S/C11H23N3O2/c1-8(2)14-7-9(12)6-10(14)11(15)13-4-5-16-3/h8-10H,4-7,12H2,1-3H3,(H,13,15)/t9-,10-/m0/s1
InChIKeyCCDPHZXXEUMXAC-UWVGGRQHSA-N
XLogP-0.44
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-4-amino-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 118760260
(2S,4S)-4-(benzylamino)-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide
CID 45222870
1-[(2S,4R)-4-amino-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 170366301
1-(4-amino-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one
CID 20737880
(2S,4S)-4-amino-1-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 118759681
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 115302045
(2S,4R)-4-[(9-ethylcarbazol-3-yl)methylamino]-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide
CID 45251340
2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974198
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
4-O-[(3R,5S)-5-(2-methoxyethylcarbamoyl)-1-(2-methylpropanoyl)pyrrolidin-3-yl] 1-O-methyl (E)-but-2-enedioate
CID 122480529
N-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132906
2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]cyclopropane-1-carboxamide
CID 114995925

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide (CID 118760263) is (2S,4S)-4-amino-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide is COCCNC(=O)[C@@H]1C[C@H](N)CN1C(C)C.
What is the InChIKey of (2S,4S)-4-amino-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is CCDPHZXXEUMXAC-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-8(2)14-7-9(12)6-10(14)11(15)13-4-5-16-3/h8-10H,4-7,12H2,1-3H3,(H,13,15)/t9-,10-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 229.32 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 118760263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).