(2S)-1-[(2S)-2-amino-1-hydroxy-3,3-dimethylbutyl]pyrrolidine-2-carboxamide

C11H23N3O2 — CID 143351799

IUPAC(2S)-1-[(2S)-2-amino-1-hydroxy-3,3-dimethylbutyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)[C@H](N)C(O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C11H23N3O2/c1-11(2,3)8(12)10(16)14-6-4-5-7(14)9(13)15/h7-8,10,16H,4-6,12H2,1-3H3,(H2,13,15)/t7-,8+,10?/m0/s1
InChIKeyICCJHHJLIUDENE-VLCSVPMDSA-N
MW229.32 g/mol
LogP-0.37
Rot. Bonds3

About (2S)-1-[(2S)-2-amino-1-hydroxy-3,3-dimethylbutyl]pyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-amino-1-hydroxy-3,3-dimethylbutyl]pyrrolidine-2-carboxamide (PubChem CID 143351799) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-amino-1-hydroxy-3,3-dimethylbutyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-amino-1-hydroxy-3,3-dimethylbutyl]pyrrolidine-2-carboxamide
PubChem CID143351799
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(2S)-1-[(2S)-2-amino-1-hydroxy-3,3-dimethylbutyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)[C@H](N)C(O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C11H23N3O2/c1-11(2,3)8(12)10(16)14-6-4-5-7(14)9(13)15/h7-8,10,16H,4-6,12H2,1-3H3,(H2,13,15)/t7-,8+,10?/m0/s1
InChIKeyICCJHHJLIUDENE-VLCSVPMDSA-N
XLogP-0.37
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide
CID 123334785
1-butan-2-ylpyrrolidine-2-carboxamide
CID 131201186
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 177223848
1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 61148979
ethane;1-[1-(1-hydroxyethyl)pyrrolidin-2-yl]ethanone
CID 142147232
1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-2-carboxamide
CID 43752688
1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide
CID 76894481
1-[2-amino-1-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide
CID 55016470
1-(2-amino-1-phenylpropyl)pyrrolidine-2-carboxamide
CID 55017137
ethyl 2-(2-carbamoylpyrrolidin-1-yl)butanoate
CID 64662468
(2S)-1-methylpyrrolidine-2-carboxamide
CID 14245857
butane;molecular hydrogen;(2S)-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidine-2-carboxamide
CID 143355463

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-amino-1-hydroxy-3,3-dimethylbutyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-amino-1-hydroxy-3,3-dimethylbutyl]pyrrolidine-2-carboxamide (CID 143351799) is (2S)-1-[(2S)-2-amino-1-hydroxy-3,3-dimethylbutyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-amino-1-hydroxy-3,3-dimethylbutyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-amino-1-hydroxy-3,3-dimethylbutyl]pyrrolidine-2-carboxamide is CC(C)(C)[C@H](N)C(O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[(2S)-2-amino-1-hydroxy-3,3-dimethylbutyl]pyrrolidine-2-carboxamide?
The InChIKey is ICCJHHJLIUDENE-VLCSVPMDSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-11(2,3)8(12)10(16)14-6-4-5-7(14)9(13)15/h7-8,10,16H,4-6,12H2,1-3H3,(H2,13,15)/t7-,8+,10?/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-amino-1-hydroxy-3,3-dimethylbutyl]pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-amino-1-hydroxy-3,3-dimethylbutyl]pyrrolidine-2-carboxamide has a molecular weight of 229.32 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-amino-1-hydroxy-3,3-dimethylbutyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 143351799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).