2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxybutan-1-one

C9H18N2O3 — CID 107217277

IUPAC2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxybutan-1-one
SMILESCOCCC(N)C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C9H18N2O3/c1-14-5-3-8(10)9(13)11-4-2-7(12)6-11/h7-8,12H,2-6,10H2,1H3/t7-,8?/m1/s1
InChIKeyNYOROPNRCWXATQ-GVHYBUMESA-N
MW202.25 g/mol
LogP-1.06
Rot. Bonds4

About 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxybutan-1-one

2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxybutan-1-one (PubChem CID 107217277) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxybutan-1-one.

Molecular Properties

Compound Name2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxybutan-1-one
PubChem CID107217277
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxybutan-1-one
SMILESCOCCC(N)C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C9H18N2O3/c1-14-5-3-8(10)9(13)11-4-2-7(12)6-11/h7-8,12H,2-6,10H2,1H3/t7-,8?/m1/s1
InChIKeyNYOROPNRCWXATQ-GVHYBUMESA-N
XLogP-1.06
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxybutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one
CID 107217182
2-amino-4-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one
CID 79170242
1-(2-amino-4-methoxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 62474132
1-(2-amino-4-methoxybutanoyl)piperidine-3-carboxylic acid
CID 62475203
2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-4-methoxybutan-1-one
CID 103533201
2-amino-4-methoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 66370036
(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 86323735
2-amino-4-methoxy-1-(3-propoxypiperidin-1-yl)butan-1-one
CID 62473426
N-[1-(2-amino-4-methoxybutanoyl)piperidin-4-yl]ethanesulfonamide
CID 62474673
ethyl 2-amino-3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropanoate
CID 107217271
(2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 93318647
2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 103950641

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxybutan-1-one?
The IUPAC name of 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxybutan-1-one (CID 107217277) is 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxybutan-1-one.
What is the SMILES notation for 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxybutan-1-one?
The canonical SMILES for 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxybutan-1-one is COCCC(N)C(=O)N1CC[C@@H](O)C1.
What is the InChIKey of 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxybutan-1-one?
The InChIKey is NYOROPNRCWXATQ-GVHYBUMESA-N. The full InChI is InChI=1S/C9H18N2O3/c1-14-5-3-8(10)9(13)11-4-2-7(12)6-11/h7-8,12H,2-6,10H2,1H3/t7-,8?/m1/s1.
What are the key properties of 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxybutan-1-one?
2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxybutan-1-one has a molecular weight of 202.25 g/mol, XLogP of -1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxybutan-1-one is sourced from PubChem (CID 107217277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).