(2S)-3-hydroxy-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]propanoic acid

C11H19N3O5 — CID 106320575

IUPAC(2S)-3-hydroxy-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]propanoic acid
SMILESCNC(=O)C1(C)CCN(C(=O)N[C@@H](CO)C(=O)O)C1
InChIInChI=1S/C11H19N3O5/c1-11(9(18)12-2)3-4-14(6-11)10(19)13-7(5-15)8(16)17/h7,15H,3-6H2,1-2H3,(H,12,18)(H,13,19)(H,16,17)/t7-,11?/m0/s1
InChIKeyVGOJVALZUDXMPN-RGENBBCFSA-N
MW273.29 g/mol
LogP-1.40
Rot. Bonds4

About (2S)-3-hydroxy-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]propanoic acid

(2S)-3-hydroxy-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]propanoic acid (PubChem CID 106320575) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]propanoic acid
PubChem CID106320575
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name(2S)-3-hydroxy-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]propanoic acid
SMILESCNC(=O)C1(C)CCN(C(=O)N[C@@H](CO)C(=O)O)C1
InChIInChI=1S/C11H19N3O5/c1-11(9(18)12-2)3-4-14(6-11)10(19)13-7(5-15)8(16)17/h7,15H,3-6H2,1-2H3,(H,12,18)(H,13,19)(H,16,17)/t7-,11?/m0/s1
InChIKeyVGOJVALZUDXMPN-RGENBBCFSA-N
XLogP-1.40
TPSA118.97 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 ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]butanedioic acid
CID 106320831
3-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 81115681
2-(2-azaspiro[4.4]nonane-2-carbonylamino)-3-hydroxypropanoic acid
CID 114279424
3-N,3-dimethyl-1-N-propylpyrrolidine-1,3-dicarboxamide
CID 106103750
1-(3-chloro-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317997
1-(2-aminoacetyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318155
1-N,1-N,3-N,3-tetramethylpyrrolidine-1,3-dicarboxamide
CID 106132532
1-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 106320604
1-(2-hydroxy-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318601
2-methyl-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid
CID 106318937
1-(2-aminopropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318154
(2S)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]hexanoic acid
CID 107146319

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]propanoic acid (CID 106320575) is (2S)-3-hydroxy-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]propanoic acid is CNC(=O)C1(C)CCN(C(=O)N[C@@H](CO)C(=O)O)C1.
What is the InChIKey of (2S)-3-hydroxy-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]propanoic acid?
The InChIKey is VGOJVALZUDXMPN-RGENBBCFSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-11(9(18)12-2)3-4-14(6-11)10(19)13-7(5-15)8(16)17/h7,15H,3-6H2,1-2H3,(H,12,18)(H,13,19)(H,16,17)/t7-,11?/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]propanoic acid?
(2S)-3-hydroxy-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]propanoic acid has a molecular weight of 273.29 g/mol, XLogP of -1.40, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 106320575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).