(2R)-3-hydroxy-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid

C10H16N2O4 — CID 106315919

IUPAC(2R)-3-hydroxy-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
SMILESCC1=CCCN(C(=O)N[C@H](CO)C(=O)O)C1
InChIInChI=1S/C10H16N2O4/c1-7-3-2-4-12(5-7)10(16)11-8(6-13)9(14)15/h3,8,13H,2,4-6H2,1H3,(H,11,16)(H,14,15)/t8-/m1/s1
InChIKeyZYHVPZZEBHWKBV-MRVPVSSYSA-N
MW228.25 g/mol
LogP-0.21
Rot. Bonds3

About (2R)-3-hydroxy-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid

(2R)-3-hydroxy-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid (PubChem CID 106315919) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
PubChem CID106315919
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name(2R)-3-hydroxy-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
SMILESCC1=CCCN(C(=O)N[C@H](CO)C(=O)O)C1
InChIInChI=1S/C10H16N2O4/c1-7-3-2-4-12(5-7)10(16)11-8(6-13)9(14)15/h3,8,13H,2,4-6H2,1H3,(H,11,16)(H,14,15)/t8-/m1/s1
InChIKeyZYHVPZZEBHWKBV-MRVPVSSYSA-N
XLogP-0.21
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-hydroxy-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
CID 106316101
2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-3-phenylpropanoic acid
CID 106315741
(2R)-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-2-phenylacetic acid
CID 106315869
2-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pentanoic acid
CID 106315791
(2S)-2-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]-3-hydroxypropanoic acid
CID 55003085
(2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 80750387
3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61188214
(2R)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)-3-hydroxypropanoic acid
CID 80756403
(2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-hydroxypropanoic acid
CID 63026894
3-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 81115681
(2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 102961873
(2R)-2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid
CID 80757373

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid (CID 106315919) is (2R)-3-hydroxy-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid is CC1=CCCN(C(=O)N[C@H](CO)C(=O)O)C1.
What is the InChIKey of (2R)-3-hydroxy-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid?
The InChIKey is ZYHVPZZEBHWKBV-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-7-3-2-4-12(5-7)10(16)11-8(6-13)9(14)15/h3,8,13H,2,4-6H2,1H3,(H,11,16)(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid?
(2R)-3-hydroxy-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid has a molecular weight of 228.25 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 106315919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).