(2R)-2-[(1-propylpyrrolidine-2-carbonyl)amino]propanoic acid

C11H20N2O3 — CID 119369844

IUPAC(2R)-2-[(1-propylpyrrolidine-2-carbonyl)amino]propanoic acid
SMILESCCCN1CCCC1C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-6-13-7-4-5-9(13)10(14)12-8(2)11(15)16/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)/t8-,9?/m1/s1
InChIKeyKBILUZHDXQUFJS-VEDVMXKPSA-N
MW228.29 g/mol
LogP0.45
Rot. Bonds5

About (2R)-2-[(1-propylpyrrolidine-2-carbonyl)amino]propanoic acid

(2R)-2-[(1-propylpyrrolidine-2-carbonyl)amino]propanoic acid (PubChem CID 119369844) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2R)-2-[(1-propylpyrrolidine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-propylpyrrolidine-2-carbonyl)amino]propanoic acid
PubChem CID119369844
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2R)-2-[(1-propylpyrrolidine-2-carbonyl)amino]propanoic acid
SMILESCCCN1CCCC1C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-6-13-7-4-5-9(13)10(14)12-8(2)11(15)16/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)/t8-,9?/m1/s1
InChIKeyKBILUZHDXQUFJS-VEDVMXKPSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-methyl-1-propylpyrrolidine-2-carboxamide
CID 142459881
N-(2-amino-1-cyclopropylethyl)-1-propylpyrrolidine-2-carboxamide;dihydrochloride
CID 119612936
(2R)-2-[(1-butylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 119370214
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
5-(diaminomethylideneamino)-2-[(1-propylpyrrolidine-2-carbonyl)amino]pentanoic acid
CID 23184420
N-(4,4-difluorocyclohexyl)-1-propylpyrrolidine-2-carboxamide
CID 11572624
2-[[1-(2-methylpropanoyl)piperidine-2-carbonyl]amino]propanoic acid
CID 119349092
methyl (2S)-2-[[(2S)-1-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carbonyl]amino]propanoate
CID 18597526
(2S)-1-[(2S)-2-[[(2S)-1-(carboxymethyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 13343615
(2S)-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 78967717
(2S)-2-[[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 15515688
(2S)-2-[[(2S)-1-[2-(phosphonoamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 57227647

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-propylpyrrolidine-2-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(1-propylpyrrolidine-2-carbonyl)amino]propanoic acid (CID 119369844) is (2R)-2-[(1-propylpyrrolidine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(1-propylpyrrolidine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(1-propylpyrrolidine-2-carbonyl)amino]propanoic acid is CCCN1CCCC1C(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[(1-propylpyrrolidine-2-carbonyl)amino]propanoic acid?
The InChIKey is KBILUZHDXQUFJS-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-6-13-7-4-5-9(13)10(14)12-8(2)11(15)16/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)/t8-,9?/m1/s1.
What are the key properties of (2R)-2-[(1-propylpyrrolidine-2-carbonyl)amino]propanoic acid?
(2R)-2-[(1-propylpyrrolidine-2-carbonyl)amino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-propylpyrrolidine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119369844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).