2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid

C12H15N3O4 — CID 62695460

IUPAC2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid
SMILESCOc1ccc(NC(=O)NC(C(=O)O)C2CC2)cn1
InChIInChI=1S/C12H15N3O4/c1-19-9-5-4-8(6-13-9)14-12(18)15-10(11(16)17)7-2-3-7/h4-7,10H,2-3H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyCJBMKDLVKYDONF-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.07
Rot. Bonds5

About 2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid

2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid (PubChem CID 62695460) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid
PubChem CID62695460
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid
SMILESCOc1ccc(NC(=O)NC(C(=O)O)C2CC2)cn1
InChIInChI=1S/C12H15N3O4/c1-19-9-5-4-8(6-13-9)14-12(18)15-10(11(16)17)7-2-3-7/h4-7,10H,2-3H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyCJBMKDLVKYDONF-UHFFFAOYSA-N
XLogP1.07
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea
CID 47139416
2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-cyclopropylacetic acid
CID 62695830
4-amino-2-[(6-methoxy-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid
CID 61188024
5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid
CID 82847806
1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea
CID 47139424
2-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid
CID 61188738
2-[(6-methoxy-3-pyridinyl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115285096
2-[(4-cyanophenyl)carbamoylamino]-2-cyclopropylacetic acid
CID 62695579
4-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79216088
2-[1-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845469
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(6-methoxy-3-pyridinyl)urea
CID 94173421
1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea
CID 47237458

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid (CID 62695460) is 2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid is COc1ccc(NC(=O)NC(C(=O)O)C2CC2)cn1.
What is the InChIKey of 2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid?
The InChIKey is CJBMKDLVKYDONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-19-9-5-4-8(6-13-9)14-12(18)15-10(11(16)17)7-2-3-7/h4-7,10H,2-3H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid?
2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid has a molecular weight of 265.27 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid is sourced from PubChem (CID 62695460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).