2-[cyclopropylmethyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid

C12H14N2O4 — CID 63850971

IUPAC2-[cyclopropylmethyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)c1cncc(O)c1
InChIInChI=1S/C12H14N2O4/c15-10-3-9(4-13-5-10)12(18)14(7-11(16)17)6-8-1-2-8/h3-5,8,15H,1-2,6-7H2,(H,16,17)
InChIKeyWXKZTAGOMCXYSV-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.72
Rot. Bonds5

About 2-[cyclopropylmethyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid

2-[cyclopropylmethyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid (PubChem CID 63850971) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid
PubChem CID63850971
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-[cyclopropylmethyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)c1cncc(O)c1
InChIInChI=1S/C12H14N2O4/c15-10-3-9(4-13-5-10)12(18)14(7-11(16)17)6-8-1-2-8/h3-5,8,15H,1-2,6-7H2,(H,16,17)
InChIKeyWXKZTAGOMCXYSV-UHFFFAOYSA-N
XLogP0.72
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid
CID 63852185
2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 43655080
2-[cyclopropylmethyl-(2-fluoropyridine-4-carbonyl)amino]acetic acid
CID 114036488
N-cyclopropyl-5-hydroxy-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide
CID 79720724
2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid
CID 104785578
2-[cyclopropylmethyl-[4-(trifluoromethyl)benzoyl]amino]acetic acid
CID 43655198
2-[cyclopropylmethyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 43655885
2-[[5-(aminomethyl)furan-3-carbonyl]-(cyclopropylmethyl)amino]acetic acid
CID 167972030
N-cyclopropyl-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63865500
2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 107729298
2-[cyclopropylmethyl-(4-methylsulfonylbenzoyl)amino]acetic acid
CID 43655089
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63859263

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid (CID 63850971) is 2-[cyclopropylmethyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)c1cncc(O)c1.
What is the InChIKey of 2-[cyclopropylmethyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid?
The InChIKey is WXKZTAGOMCXYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-10-3-9(4-13-5-10)12(18)14(7-11(16)17)6-8-1-2-8/h3-5,8,15H,1-2,6-7H2,(H,16,17).
What are the key properties of 2-[cyclopropylmethyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid?
2-[cyclopropylmethyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid has a molecular weight of 250.25 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 63850971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).