(2R)-2-(3-piperidin-2-ylpropanoylamino)propanoic acid

C11H20N2O3 — CID 78986989

IUPAC(2R)-2-(3-piperidin-2-ylpropanoylamino)propanoic acid
SMILESC[C@@H](NC(=O)CCC1CCCCN1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-8(11(15)16)13-10(14)6-5-9-4-2-3-7-12-9/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)/t8-,9?/m1/s1
InChIKeyZITGBIVMQDRAAX-VEDVMXKPSA-N
MW228.29 g/mol
LogP0.50
Rot. Bonds5

About (2R)-2-(3-piperidin-2-ylpropanoylamino)propanoic acid

(2R)-2-(3-piperidin-2-ylpropanoylamino)propanoic acid (PubChem CID 78986989) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2R)-2-(3-piperidin-2-ylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-piperidin-2-ylpropanoylamino)propanoic acid
PubChem CID78986989
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2R)-2-(3-piperidin-2-ylpropanoylamino)propanoic acid
SMILESC[C@@H](NC(=O)CCC1CCCCN1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-8(11(15)16)13-10(14)6-5-9-4-2-3-7-12-9/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)/t8-,9?/m1/s1
InChIKeyZITGBIVMQDRAAX-VEDVMXKPSA-N
XLogP0.50
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-pyrrolidin-2-ylpropanoylamino)propanoic acid
CID 90744178
N-[(2R)-1-hydroxypropan-2-yl]-3-piperidin-2-ylpropanamide
CID 107218481
N-[(2S)-1-hydroxypropan-2-yl]-3-piperidin-2-ylpropanamide
CID 107218985
N-methyl-2-(3-piperidin-2-ylpropanoylamino)propanamide
CID 62212327
N-methyl-3-[(2S)-piperidin-2-yl]propanamide
CID 94374343
N-hexan-2-yl-3-piperidin-2-ylpropanamide
CID 62211669
N-(1-phenylpropyl)-3-piperidin-2-ylpropanamide
CID 62305915
N-[(1R)-1-(4-bromophenyl)ethyl]-3-piperidin-2-ylpropanamide
CID 81359749
N-hex-5-yn-3-yl-3-piperidin-2-ylpropanamide
CID 113477454
N-(1-hydroxy-3-phenylpropan-2-yl)-3-piperidin-2-ylpropanamide
CID 63261362
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-piperidin-2-ylpropanamide
CID 114010587
3-(azepan-2-yl)propanoic acid
CID 69475849

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-piperidin-2-ylpropanoylamino)propanoic acid?
The IUPAC name of (2R)-2-(3-piperidin-2-ylpropanoylamino)propanoic acid (CID 78986989) is (2R)-2-(3-piperidin-2-ylpropanoylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(3-piperidin-2-ylpropanoylamino)propanoic acid?
The canonical SMILES for (2R)-2-(3-piperidin-2-ylpropanoylamino)propanoic acid is C[C@@H](NC(=O)CCC1CCCCN1)C(=O)O.
What is the InChIKey of (2R)-2-(3-piperidin-2-ylpropanoylamino)propanoic acid?
The InChIKey is ZITGBIVMQDRAAX-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(11(15)16)13-10(14)6-5-9-4-2-3-7-12-9/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)/t8-,9?/m1/s1.
What are the key properties of (2R)-2-(3-piperidin-2-ylpropanoylamino)propanoic acid?
(2R)-2-(3-piperidin-2-ylpropanoylamino)propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-piperidin-2-ylpropanoylamino)propanoic acid is sourced from PubChem (CID 78986989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).