1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid

C9H11N3O4 — CID 136959117

IUPAC1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid
SMILESCOc1c(NC2(C(=O)O)CC2)nc[nH]c1=O
InChIInChI=1S/C9H11N3O4/c1-16-5-6(10-4-11-7(5)13)12-9(2-3-9)8(14)15/h4H,2-3H2,1H3,(H,14,15)(H2,10,11,12,13)
InChIKeyRHTYNRPVZPTYKH-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.19
Rot. Bonds4

About 1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid

1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid (PubChem CID 136959117) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid
PubChem CID136959117
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid
SMILESCOc1c(NC2(C(=O)O)CC2)nc[nH]c1=O
InChIInChI=1S/C9H11N3O4/c1-16-5-6(10-4-11-7(5)13)12-9(2-3-9)8(14)15/h4H,2-3H2,1H3,(H,14,15)(H2,10,11,12,13)
InChIKeyRHTYNRPVZPTYKH-UHFFFAOYSA-N
XLogP-0.19
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,3,3-trifluoro-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 136959294
4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958381
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958407
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958429
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958436
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid
CID 136958469
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958474
2-[cyclopropyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958530
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 136958603
methyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoate
CID 136958668
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 136958674
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid
CID 136958708

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid (CID 136959117) is 1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid is COc1c(NC2(C(=O)O)CC2)nc[nH]c1=O.
What is the InChIKey of 1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is RHTYNRPVZPTYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-16-5-6(10-4-11-7(5)13)12-9(2-3-9)8(14)15/h4H,2-3H2,1H3,(H,14,15)(H2,10,11,12,13).
What are the key properties of 1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid?
1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 225.20 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 136959117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).