2-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methoxypentan-1-one

C12H24N2O3 — CID 114797556

IUPAC2-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methoxypentan-1-one
SMILESCOCCCC(N)C(=O)N1CCC(CCO)C1
InChIInChI=1S/C12H24N2O3/c1-17-8-2-3-11(13)12(16)14-6-4-10(9-14)5-7-15/h10-11,15H,2-9,13H2,1H3
InChIKeyHTJNMTJDEKMHKK-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.03
Rot. Bonds7

About 2-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methoxypentan-1-one

2-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methoxypentan-1-one (PubChem CID 114797556) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methoxypentan-1-one.

Molecular Properties

Compound Name2-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methoxypentan-1-one
PubChem CID114797556
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methoxypentan-1-one
SMILESCOCCCC(N)C(=O)N1CCC(CCO)C1
InChIInChI=1S/C12H24N2O3/c1-17-8-2-3-11(13)12(16)14-6-4-10(9-14)5-7-15/h10-11,15H,2-9,13H2,1H3
InChIKeyHTJNMTJDEKMHKK-UHFFFAOYSA-N
XLogP-0.03
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.03
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

1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-methoxybutan-1-one
CID 115775093
2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 81089522
2-amino-1-(4-tert-butylpiperidin-1-yl)-5-methoxypentan-1-one
CID 81089188
N-[1-(2-amino-5-methoxypentanoyl)pyrrolidin-3-yl]acetamide
CID 113402267
2-[1-(2-amino-5-methoxypentanoyl)azetidin-3-yl]acetic acid
CID 81101945
2-amino-5-methoxy-1-(4-methylazepan-1-yl)pentan-1-one
CID 81089424
1-(4-acetylpiperazin-1-yl)-2-amino-5-methoxypentan-1-one
CID 81082869
1-(2-amino-5-methoxypentanoyl)piperidine-3-carboxamide
CID 81081411
2-amino-5-methoxy-1-(4-methylpiperazin-1-yl)pentan-1-one
CID 81081223
2-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methoxypentan-1-one
CID 81088340
2-amino-5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
CID 81088436
2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxypentan-1-one
CID 81088440

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methoxypentan-1-one?
The IUPAC name of 2-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methoxypentan-1-one (CID 114797556) is 2-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methoxypentan-1-one.
What is the SMILES notation for 2-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methoxypentan-1-one?
The canonical SMILES for 2-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methoxypentan-1-one is COCCCC(N)C(=O)N1CCC(CCO)C1.
What is the InChIKey of 2-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methoxypentan-1-one?
The InChIKey is HTJNMTJDEKMHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-17-8-2-3-11(13)12(16)14-6-4-10(9-14)5-7-15/h10-11,15H,2-9,13H2,1H3.
What are the key properties of 2-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methoxypentan-1-one?
2-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methoxypentan-1-one has a molecular weight of 244.33 g/mol, XLogP of -0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methoxypentan-1-one is sourced from PubChem (CID 114797556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).