2-(aminomethyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one

C9H18N2O2 — CID 107217153

IUPAC2-(aminomethyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one
SMILESCCC(CN)C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C9H18N2O2/c1-2-7(5-10)9(13)11-4-3-8(12)6-11/h7-8,12H,2-6,10H2,1H3/t7?,8-/m1/s1
InChIKeyPGUSQZSFMDWVKH-BRFYHDHCSA-N
MW186.25 g/mol
LogP-0.44
Rot. Bonds3

About 2-(aminomethyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one

2-(aminomethyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one (PubChem CID 107217153) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(aminomethyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one
PubChem CID107217153
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-(aminomethyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one
SMILESCCC(CN)C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C9H18N2O2/c1-2-7(5-10)9(13)11-4-3-8(12)6-11/h7-8,12H,2-6,10H2,1H3/t7?,8-/m1/s1
InChIKeyPGUSQZSFMDWVKH-BRFYHDHCSA-N
XLogP-0.44
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 63168547
2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 103950641
2-(aminomethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylpentan-1-one
CID 107472973
2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one
CID 43417122
2-(aminomethyl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]butan-1-one
CID 65229983
(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 86323735
2-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]acetic acid
CID 65228465
ethyl 2-amino-3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropanoate
CID 107217271
N-[1-[2-(aminomethyl)butanoyl]piperidin-4-yl]propanamide
CID 65227339
2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one
CID 63106212
N-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]methanesulfonamide
CID 65227685
4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 81080868

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one?
The IUPAC name of 2-(aminomethyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one (CID 107217153) is 2-(aminomethyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one is CCC(CN)C(=O)N1CC[C@@H](O)C1.
What is the InChIKey of 2-(aminomethyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one?
The InChIKey is PGUSQZSFMDWVKH-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-7(5-10)9(13)11-4-3-8(12)6-11/h7-8,12H,2-6,10H2,1H3/t7?,8-/m1/s1.
What are the key properties of 2-(aminomethyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one?
2-(aminomethyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 107217153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).