4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid

C9H16N2O4 — CID 168658977

IUPAC4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid
SMILESNCC1CC(=O)N(CC(O)CC(=O)O)C1
InChIInChI=1S/C9H16N2O4/c10-3-6-1-8(13)11(4-6)5-7(12)2-9(14)15/h6-7,12H,1-5,10H2,(H,14,15)
InChIKeyAKJMQRTVVJMRPQ-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.37
Rot. Bonds5

About 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid

4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid (PubChem CID 168658977) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid
PubChem CID168658977
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid
SMILESNCC1CC(=O)N(CC(O)CC(=O)O)C1
InChIInChI=1S/C9H16N2O4/c10-3-6-1-8(13)11(4-6)5-7(12)2-9(14)15/h6-7,12H,1-5,10H2,(H,14,15)
InChIKeyAKJMQRTVVJMRPQ-UHFFFAOYSA-N
XLogP-1.37
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-4-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]butanoic acid
CID 168669448
3-hydroxy-4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)butanoic acid
CID 168692793
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanoic acid
CID 168658772
[1-(3-amino-2-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681848
4-(aminomethyl)-1-benzylpyrrolidin-2-one;2,3-dihydroxybutanedioic acid
CID 14129465
1-[(2R)-2,3-dihydroxypropyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669465
2-[[2-[[2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]acetyl]amino]acetyl]amino]acetic acid
CID 168660146
4-(aminomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
CID 168658985
4-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one
CID 168659192
(2S)-2-hydroxy-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)propanoic acid
CID 168707868
1-(2-hydroxybutyl)-4-methylpyrrolidin-2-one
CID 63100793
1-[2-hydroxy-3-(methylamino)propyl]-4-propylpyrrolidin-2-one
CID 104511593

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid?
The IUPAC name of 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid (CID 168658977) is 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid.
What is the SMILES notation for 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid?
The canonical SMILES for 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid is NCC1CC(=O)N(CC(O)CC(=O)O)C1.
What is the InChIKey of 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid?
The InChIKey is AKJMQRTVVJMRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c10-3-6-1-8(13)11(4-6)5-7(12)2-9(14)15/h6-7,12H,1-5,10H2,(H,14,15).
What are the key properties of 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid?
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid has a molecular weight of 216.24 g/mol, XLogP of -1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid is sourced from PubChem (CID 168658977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).