2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one

C10H20N2O2 — CID 112624987

IUPAC2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one
SMILESCCCC(N)C(=O)N1CCC(CO)C1
InChIInChI=1S/C10H20N2O2/c1-2-3-9(11)10(14)12-5-4-8(6-12)7-13/h8-9,13H,2-7,11H2,1H3
InChIKeyNUXNTBCNFWPUSP-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.05
Rot. Bonds4

About 2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one

2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one (PubChem CID 112624987) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one
PubChem CID112624987
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one
SMILESCCCC(N)C(=O)N1CCC(CO)C1
InChIInChI=1S/C10H20N2O2/c1-2-3-9(11)10(14)12-5-4-8(6-12)7-13/h8-9,13H,2-7,11H2,1H3
InChIKeyNUXNTBCNFWPUSP-UHFFFAOYSA-N
XLogP-0.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 129393084
2-amino-1-[3-(2-methylpropyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 119322626
3-[1-[(2S)-2-aminopentanoyl]pyrrolidin-3-yl]propanoic acid
CID 103870649
(2R)-2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 103942705
2-ethyl-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 62371308
1-[(2R)-2-aminopentanoyl]pyrrolidine-3-carboxylic acid
CID 103848580
2-amino-1-(3-propylpyrrolidin-1-yl)butan-1-one
CID 115734204
2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119337251
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-aminopentan-1-one
CID 43650387
2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)pentan-1-one
CID 114678311
(2R)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]pentan-1-one
CID 103796402
4-amino-5-oxo-5-(3-propylpyrrolidin-1-yl)pentanoic acid
CID 113417412

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one?
The IUPAC name of 2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one (CID 112624987) is 2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one.
What is the SMILES notation for 2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one?
The canonical SMILES for 2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one is CCCC(N)C(=O)N1CCC(CO)C1.
What is the InChIKey of 2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one?
The InChIKey is NUXNTBCNFWPUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-3-9(11)10(14)12-5-4-8(6-12)7-13/h8-9,13H,2-7,11H2,1H3.
What are the key properties of 2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one?
2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one has a molecular weight of 200.28 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one is sourced from PubChem (CID 112624987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).