1-amino-3-[(2R)-pyrrolidin-2-yl]propan-2-one

C7H14N2O — CID 54308072

IUPAC1-amino-3-[(2R)-pyrrolidin-2-yl]propan-2-one
SMILESNCC(=O)C[C@H]1CCCN1
InChIInChI=1S/C7H14N2O/c8-5-7(10)4-6-2-1-3-9-6/h6,9H,1-5,8H2/t6-/m1/s1
InChIKeyQRZYWTDZPPZOFR-ZCFIWIBFSA-N
MW142.20 g/mol
LogP-0.34
Rot. Bonds3

About 1-amino-3-[(2R)-pyrrolidin-2-yl]propan-2-one

1-amino-3-[(2R)-pyrrolidin-2-yl]propan-2-one (PubChem CID 54308072) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-amino-3-[(2R)-pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-amino-3-[(2R)-pyrrolidin-2-yl]propan-2-one
PubChem CID54308072
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-amino-3-[(2R)-pyrrolidin-2-yl]propan-2-one
SMILESNCC(=O)C[C@H]1CCCN1
InChIInChI=1S/C7H14N2O/c8-5-7(10)4-6-2-1-3-9-6/h6,9H,1-5,8H2/t6-/m1/s1
InChIKeyQRZYWTDZPPZOFR-ZCFIWIBFSA-N
XLogP-0.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxy-3-pyrrolidin-2-ylpropan-2-one
CID 123192463
4-cyclopropyl-1-pyrrolidin-2-ylbutan-2-one
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1-pyrrolidin-2-ylpropan-2-one
CID 45085262
2-[(2R)-azepan-2-yl]acetic acid
CID 96634576
1-cyclopentyl-2-pyrrolidin-2-ylethanone
CID 79538692
6,6,6-trifluoro-1-pyrrolidin-2-ylhexan-2-one
CID 116560929
N-carbamoyl-2-pyrrolidin-2-ylacetamide
CID 79195265
N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide
CID 61366460
N-methyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66776546
N-methyl-2-[(2S)-pyrrolidin-2-yl]acetamide
CID 66778094
N,N-dimethyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66777504
1-(4-hydroxyphenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560927

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(2R)-pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-amino-3-[(2R)-pyrrolidin-2-yl]propan-2-one (CID 54308072) is 1-amino-3-[(2R)-pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-amino-3-[(2R)-pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-amino-3-[(2R)-pyrrolidin-2-yl]propan-2-one is NCC(=O)C[C@H]1CCCN1.
What is the InChIKey of 1-amino-3-[(2R)-pyrrolidin-2-yl]propan-2-one?
The InChIKey is QRZYWTDZPPZOFR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14N2O/c8-5-7(10)4-6-2-1-3-9-6/h6,9H,1-5,8H2/t6-/m1/s1.
What are the key properties of 1-amino-3-[(2R)-pyrrolidin-2-yl]propan-2-one?
1-amino-3-[(2R)-pyrrolidin-2-yl]propan-2-one has a molecular weight of 142.20 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(2R)-pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 54308072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).