2-cyclopropyl-2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid

C12H14N2O4 — CID 114074924

IUPAC2-cyclopropyl-2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid
SMILESCOC(=O)c1ccnc(NC(C(=O)O)C2CC2)c1
InChIInChI=1S/C12H14N2O4/c1-18-12(17)8-4-5-13-9(6-8)14-10(11(15)16)7-2-3-7/h4-7,10H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyCBJYSUZANPTJAU-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.14
Rot. Bonds5

About 2-cyclopropyl-2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid

2-cyclopropyl-2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid (PubChem CID 114074924) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid
PubChem CID114074924
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-cyclopropyl-2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid
SMILESCOC(=O)c1ccnc(NC(C(=O)O)C2CC2)c1
InChIInChI=1S/C12H14N2O4/c1-18-12(17)8-4-5-13-9(6-8)14-10(11(15)16)7-2-3-7/h4-7,10H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyCBJYSUZANPTJAU-UHFFFAOYSA-N
XLogP1.14
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(butan-2-ylamino)pyridine-4-carboxylate
CID 68814423
methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate
CID 68814422
methyl 2-(trideuteriomethylamino)pyridine-4-carboxylate
CID 155292007
methyl 2-(phosphanylamino)pyridine-4-carboxylate
CID 22084632
2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid
CID 83834716
4-[(4-methoxycarbonyl-2-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122089442
methyl 2-(cyclohex-3-en-1-ylamino)pyridine-4-carboxylate
CID 114075047
methyl 2-cyclopropylsulfanylpyridine-4-carboxylate
CID 163367692
methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364
methyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate
CID 83841971
methyl 2-(thian-3-ylamino)pyridine-4-carboxylate
CID 114075092
methyl 2-(1-bromoethylcarbamoylamino)pyridine-4-carboxylate
CID 143854974

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid (CID 114074924) is 2-cyclopropyl-2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid is COC(=O)c1ccnc(NC(C(=O)O)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid?
The InChIKey is CBJYSUZANPTJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-18-12(17)8-4-5-13-9(6-8)14-10(11(15)16)7-2-3-7/h4-7,10H,2-3H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-cyclopropyl-2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid?
2-cyclopropyl-2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid has a molecular weight of 250.25 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid is sourced from PubChem (CID 114074924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).