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

C14H25N3O4 — CID 107825159

IUPAC(2R)-4-hydroxy-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
SMILESO=C(N[C@H](CCO)C(=O)O)C1CCCN1C1CCNCC1
InChIInChI=1S/C14H25N3O4/c18-9-5-11(14(20)21)16-13(19)12-2-1-8-17(12)10-3-6-15-7-4-10/h10-12,15,18H,1-9H2,(H,16,19)(H,20,21)/t11-,12?/m1/s1
InChIKeyYDJWTPZPSXUIDX-JHJMLUEUSA-N
MW299.37 g/mol
LogP-0.85
Rot. Bonds6

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

(2R)-4-hydroxy-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid (PubChem CID 107825159) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
PubChem CID107825159
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name(2R)-4-hydroxy-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
SMILESO=C(N[C@H](CCO)C(=O)O)C1CCCN1C1CCNCC1
InChIInChI=1S/C14H25N3O4/c18-9-5-11(14(20)21)16-13(19)12-2-1-8-17(12)10-3-6-15-7-4-10/h10-12,15,18H,1-9H2,(H,16,19)(H,20,21)/t11-,12?/m1/s1
InChIKeyYDJWTPZPSXUIDX-JHJMLUEUSA-N
XLogP-0.85
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 78967717
(2R)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 79009572
(2S)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 61174368
2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid
CID 61158377
N-[(1R)-1-cyclopentylethyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 81389308
(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93446902
N-(5-hydroxypentyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 107317753
methyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate
CID 61020231
N-carbamoyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 79195257
(2R)-4-hydroxy-2-(pyrrolidine-3-carbonylamino)butanoic acid
CID 107825270
2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 61265351
N-(2,2-difluoro-3-hydroxypropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 106176774

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid (CID 107825159) is (2R)-4-hydroxy-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid is O=C(N[C@H](CCO)C(=O)O)C1CCCN1C1CCNCC1.
What is the InChIKey of (2R)-4-hydroxy-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid?
The InChIKey is YDJWTPZPSXUIDX-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H25N3O4/c18-9-5-11(14(20)21)16-13(19)12-2-1-8-17(12)10-3-6-15-7-4-10/h10-12,15,18H,1-9H2,(H,16,19)(H,20,21)/t11-,12?/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid?
(2R)-4-hydroxy-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid has a molecular weight of 299.37 g/mol, XLogP of -0.85, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107825159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).