(2R)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid

C15H27N3O3 — CID 79009572

IUPAC(2R)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)C1CCCN1C1CCNCC1)C(=O)O
InChIInChI=1S/C15H27N3O3/c1-10(2)13(15(20)21)17-14(19)12-4-3-9-18(12)11-5-7-16-8-6-11/h10-13,16H,3-9H2,1-2H3,(H,17,19)(H,20,21)/t12?,13-/m1/s1
InChIKeyCTYPNIFRDLLGLD-ZGTCLIOFSA-N
MW297.40 g/mol
LogP0.43
Rot. Bonds5

About (2R)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid

(2R)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid (PubChem CID 79009572) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
PubChem CID79009572
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name(2R)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)C1CCCN1C1CCNCC1)C(=O)O
InChIInChI=1S/C15H27N3O3/c1-10(2)13(15(20)21)17-14(19)12-4-3-9-18(12)11-5-7-16-8-6-11/h10-13,16H,3-9H2,1-2H3,(H,17,19)(H,20,21)/t12?,13-/m1/s1
InChIKeyCTYPNIFRDLLGLD-ZGTCLIOFSA-N
XLogP0.43
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 61174368
(2S)-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 78967717
N-[(1R)-1-cyclopentylethyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 81389308
methyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate
CID 61020231
(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93446902
(2R)-4-hydroxy-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 107825159
2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 61265351
1-piperidin-4-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide
CID 106282622
2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid
CID 61158377
1-piperidin-4-ylpiperidine-2-carboxylic acid
CID 21098979
N-carbamoyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 79195257
N-(2-methyl-3-methylsulfanylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 63959744

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid (CID 79009572) is (2R)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid is CC(C)[C@@H](NC(=O)C1CCCN1C1CCNCC1)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid?
The InChIKey is CTYPNIFRDLLGLD-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-10(2)13(15(20)21)17-14(19)12-4-3-9-18(12)11-5-7-16-8-6-11/h10-13,16H,3-9H2,1-2H3,(H,17,19)(H,20,21)/t12?,13-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid?
(2R)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid has a molecular weight of 297.40 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 79009572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).