2-[5-(oxolan-3-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid

C13H17N3O4 — CID 107340659

IUPAC2-[5-(oxolan-3-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)NCC2CCOC2)cn1
InChIInChI=1S/C13H17N3O4/c17-12(18)5-10-1-2-11(7-14-10)16-13(19)15-6-9-3-4-20-8-9/h1-2,7,9H,3-6,8H2,(H,17,18)(H2,15,16,19)
InChIKeyFTEMJNYHRLNAQT-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.87
Rot. Bonds5

About 2-[5-(oxolan-3-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid

2-[5-(oxolan-3-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid (PubChem CID 107340659) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[5-(oxolan-3-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(oxolan-3-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid
PubChem CID107340659
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[5-(oxolan-3-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)NCC2CCOC2)cn1
InChIInChI=1S/C13H17N3O4/c17-12(18)5-10-1-2-11(7-14-10)16-13(19)15-6-9-3-4-20-8-9/h1-2,7,9H,3-6,8H2,(H,17,18)(H2,15,16,19)
InChIKeyFTEMJNYHRLNAQT-UHFFFAOYSA-N
XLogP0.87
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(oxolan-3-ylmethylcarbamoylamino)phenoxy]acetic acid
CID 62822807
2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid
CID 107338810
2-[5-(but-3-enylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340820
3-(oxolan-3-ylmethylcarbamoylamino)benzoic acid
CID 55118965
2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340431
1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 125156664
2-[5-(piperidin-4-ylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340537
3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743585
2-methoxy-4-(oxolan-3-ylmethylcarbamoylamino)benzoic acid
CID 107209471
2-[5-(3,3-dimethylbutylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340868
2-[5-[[2-(oxolan-2-yl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107339211
1-(cyclopropylmethyl)-3-[4-[[(3S)-oxolan-3-yl]methylsulfonyl]phenyl]urea
CID 95626213

Frequently Asked Questions

What is the IUPAC name of 2-[5-(oxolan-3-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(oxolan-3-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid (CID 107340659) is 2-[5-(oxolan-3-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(oxolan-3-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(oxolan-3-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid is O=C(O)Cc1ccc(NC(=O)NCC2CCOC2)cn1.
What is the InChIKey of 2-[5-(oxolan-3-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid?
The InChIKey is FTEMJNYHRLNAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-12(18)5-10-1-2-11(7-14-10)16-13(19)15-6-9-3-4-20-8-9/h1-2,7,9H,3-6,8H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[5-(oxolan-3-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid?
2-[5-(oxolan-3-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid has a molecular weight of 279.30 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(oxolan-3-ylmethylcarbamoylamino)-2-pyridinyl]acetic acid is sourced from PubChem (CID 107340659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).