2-hydroxy-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid

C10H16N2O4 — CID 114412030

IUPAC2-hydroxy-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
SMILESCC1=CCN(C(=O)NCC(O)C(=O)O)CC1
InChIInChI=1S/C10H16N2O4/c1-7-2-4-12(5-3-7)10(16)11-6-8(13)9(14)15/h2,8,13H,3-6H2,1H3,(H,11,16)(H,14,15)
InChIKeyWBIBYGNANJEMQM-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.21
Rot. Bonds3

About 2-hydroxy-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid

2-hydroxy-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid (PubChem CID 114412030) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-hydroxy-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
PubChem CID114412030
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-hydroxy-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
SMILESCC1=CCN(C(=O)NCC(O)C(=O)O)CC1
InChIInChI=1S/C10H16N2O4/c1-7-2-4-12(5-3-7)10(16)11-6-8(13)9(14)15/h2,8,13H,3-6H2,1H3,(H,11,16)(H,14,15)
InChIKeyWBIBYGNANJEMQM-UHFFFAOYSA-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

3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
CID 114411947
2-ethyl-2-[[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]butanoic acid
CID 114412000
ethyl 2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]acetate
CID 115766428
(2S)-3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid
CID 107838219
3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid
CID 66165088
3-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
CID 114411887
2-[[(4-bromo-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]butanoic acid
CID 166259191
5,5-dimethyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]hexanoic acid
CID 114412004
2,2-dimethyl-4-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-4-oxobutanoic acid
CID 114411236
(2S)-2-hydroxy-3-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 107840590
ethane;4-methyl-N,N-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 145380354
2-[[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 114412196

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid (CID 114412030) is 2-hydroxy-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid is CC1=CCN(C(=O)NCC(O)C(=O)O)CC1.
What is the InChIKey of 2-hydroxy-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid?
The InChIKey is WBIBYGNANJEMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-7-2-4-12(5-3-7)10(16)11-6-8(13)9(14)15/h2,8,13H,3-6H2,1H3,(H,11,16)(H,14,15).
What are the key properties of 2-hydroxy-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid?
2-hydroxy-3-[(4-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 2-hydroxy-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 114412030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).