2-[cyclopropylmethyl-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid

C14H19N3O4 — CID 43655511

IUPAC2-[cyclopropylmethyl-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C14H19N3O4/c1-8-11(9(2)16-14(21)15-8)5-12(18)17(7-13(19)20)6-10-3-4-10/h10H,3-7H2,1-2H3,(H,19,20)(H,15,16,21)
InChIKeyUMWCQKQGRVEROV-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.25
Rot. Bonds6

About 2-[cyclopropylmethyl-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid

2-[cyclopropylmethyl-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid (PubChem CID 43655511) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid
PubChem CID43655511
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[cyclopropylmethyl-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C14H19N3O4/c1-8-11(9(2)16-14(21)15-8)5-12(18)17(7-13(19)20)6-10-3-4-10/h10H,3-7H2,1-2H3,(H,19,20)(H,15,16,21)
InChIKeyUMWCQKQGRVEROV-UHFFFAOYSA-N
XLogP0.25
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-2-carboxylic acid
CID 43171093
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-methylpentanoic acid
CID 43353367
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3-methylbutanoic acid
CID 43354098
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid
CID 43354544
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid
CID 43355414
1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43355697
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]acetic acid
CID 43356374
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3-methylpentanoic acid
CID 43356536
4-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]butanoic acid
CID 43360163
2-cyclopropyl-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid
CID 43360537
methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3-methylbutanoate
CID 43408263
methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetate
CID 43408676

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid (CID 43655511) is 2-[cyclopropylmethyl-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid is Cc1nc(=O)[nH]c(C)c1CC(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid?
The InChIKey is UMWCQKQGRVEROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-8-11(9(2)16-14(21)15-8)5-12(18)17(7-13(19)20)6-10-3-4-10/h10H,3-7H2,1-2H3,(H,19,20)(H,15,16,21).
What are the key properties of 2-[cyclopropylmethyl-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid?
2-[cyclopropylmethyl-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 43655511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).