(2R)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid

C11H20N2O3 — CID 168658755

IUPAC(2R)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@H](C(=O)O)N1CC(CN)CC1=O
InChIInChI=1S/C11H20N2O3/c1-11(2,3)9(10(15)16)13-6-7(5-12)4-8(13)14/h7,9H,4-6,12H2,1-3H3,(H,15,16)/t7?,9-/m0/s1
InChIKeyCXNNVLZUIFZWSF-NETXQHHPSA-N
MW228.29 g/mol
LogP0.29
Rot. Bonds3

About (2R)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid

(2R)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid (PubChem CID 168658755) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2R)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid
PubChem CID168658755
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2R)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@H](C(=O)O)N1CC(CN)CC1=O
InChIInChI=1S/C11H20N2O3/c1-11(2,3)9(10(15)16)13-6-7(5-12)4-8(13)14/h7,9H,4-6,12H2,1-3H3,(H,15,16)/t7?,9-/m0/s1
InChIKeyCXNNVLZUIFZWSF-NETXQHHPSA-N
XLogP0.29
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-methyl-3-sulfanylbutanoic acid
CID 168658757
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanoic acid
CID 168658772
4-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 44827665
tert-butyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanoate
CID 168658834
(2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methyl-3-sulfanylbutanoic acid
CID 168674696
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-sulfopropanoic acid
CID 168658950
(2R)-2-(4-chloro-2-oxopyrrolidin-1-yl)-3-methyl-3-sulfanylbutanoic acid
CID 168686833
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-(2-methylphenyl)acetic acid
CID 168658891
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoic acid
CID 168658961
(2R)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-(4-fluorophenyl)propanoic acid
CID 168659021
1-(3,3-dimethylbutan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 104830094
(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid
CID 168698750

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid (CID 168658755) is (2R)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid is CC(C)(C)[C@H](C(=O)O)N1CC(CN)CC1=O.
What is the InChIKey of (2R)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid?
The InChIKey is CXNNVLZUIFZWSF-NETXQHHPSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,3)9(10(15)16)13-6-7(5-12)4-8(13)14/h7,9H,4-6,12H2,1-3H3,(H,15,16)/t7?,9-/m0/s1.
What are the key properties of (2R)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid?
(2R)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 168658755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).