(2S,4R)-1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C11H19N3O5 — CID 106279083

IUPAC(2S,4R)-1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(C)(CNC(=O)N1C[C@H](O)C[C@H]1C(=O)O)C(N)=O
InChIInChI=1S/C11H19N3O5/c1-11(2,9(12)18)5-13-10(19)14-4-6(15)3-7(14)8(16)17/h6-7,15H,3-5H2,1-2H3,(H2,12,18)(H,13,19)(H,16,17)/t6-,7+/m1/s1
InChIKeyPBCMGCVLVVTDTD-RQJHMYQMSA-N
MW273.29 g/mol
LogP-1.27
Rot. Bonds4

About (2S,4R)-1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 106279083) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2S,4R)-1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID106279083
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name(2S,4R)-1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(C)(CNC(=O)N1C[C@H](O)C[C@H]1C(=O)O)C(N)=O
InChIInChI=1S/C11H19N3O5/c1-11(2,9(12)18)5-13-10(19)14-4-6(15)3-7(14)8(16)17/h6-7,15H,3-5H2,1-2H3,(H2,12,18)(H,13,19)(H,16,17)/t6-,7+/m1/s1
InChIKeyPBCMGCVLVVTDTD-RQJHMYQMSA-N
XLogP-1.27
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-hydroxy-1-[(2-methyl-2-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104864507
(2S)-4-hydroxy-1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 63858835
(2S)-1-[2-(carbamoylamino)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 83112729
(2R,4R)-4-hydroxy-1-[(2-methylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104860996
4-hydroxy-1-[(2-methylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 103995936
(2S,4S)-4-hydroxy-1-[(2-methylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104861012
(2S)-1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115356653
(2R,4R)-1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115356743
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
(2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000057
(2S)-1-(but-2-ynylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104861193
(2S,4S)-4-hydroxy-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64714620

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 106279083) is (2S,4R)-1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CC(C)(CNC(=O)N1C[C@H](O)C[C@H]1C(=O)O)C(N)=O.
What is the InChIKey of (2S,4R)-1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is PBCMGCVLVVTDTD-RQJHMYQMSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-11(2,9(12)18)5-13-10(19)14-4-6(15)3-7(14)8(16)17/h6-7,15H,3-5H2,1-2H3,(H2,12,18)(H,13,19)(H,16,17)/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of -1.27, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106279083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).