2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide

C10H21N3O2 — CID 115301859

IUPAC2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CC[C@@H](N)C1
InChIInChI=1S/C10H21N3O2/c1-15-6-2-4-12-10(14)8-13-5-3-9(11)7-13/h9H,2-8,11H2,1H3,(H,12,14)/t9-/m1/s1
InChIKeyRVQDGNNCNPWQCM-SECBINFHSA-N
MW215.30 g/mol
LogP-0.83
Rot. Bonds6

About 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide

2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 115301859) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID115301859
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CC[C@@H](N)C1
InChIInChI=1S/C10H21N3O2/c1-15-6-2-4-12-10(14)8-13-5-3-9(11)7-13/h9H,2-8,11H2,1H3,(H,12,14)/t9-/m1/s1
InChIKeyRVQDGNNCNPWQCM-SECBINFHSA-N
XLogP-0.83
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.83
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

2-(3-aminopiperidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 61295530
2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79327489
2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 55030129
2-(3-aminopyrrolidin-1-yl)-N-butylacetamide
CID 62067276
methyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730658
2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 94209171
N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 78787278
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115307268
2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 63849542
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 79410145
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 115738482
ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 54837907

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide (CID 115301859) is 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1CC[C@@H](N)C1.
What is the InChIKey of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is RVQDGNNCNPWQCM-SECBINFHSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-15-6-2-4-12-10(14)8-13-5-3-9(11)7-13/h9H,2-8,11H2,1H3,(H,12,14)/t9-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 215.30 g/mol, XLogP of -0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 115301859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).