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

C14H19N3O4 — CID 43360537

IUPAC2-cyclopropyl-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C14H19N3O4/c1-7-10(8(2)16-13(21)15-7)6-11(18)17-14(3,12(19)20)9-4-5-9/h9H,4-6H2,1-3H3,(H,17,18)(H,19,20)(H,15,16,21)
InChIKeyIEHWYNJVDNGPBA-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.30
Rot. Bonds5

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

2-cyclopropyl-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid (PubChem CID 43360537) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid
PubChem CID43360537
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-cyclopropyl-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C14H19N3O4/c1-7-10(8(2)16-13(21)15-7)6-11(18)17-14(3,12(19)20)9-4-5-9/h9H,4-6H2,1-3H3,(H,17,18)(H,19,20)(H,15,16,21)
InChIKeyIEHWYNJVDNGPBA-UHFFFAOYSA-N
XLogP0.30
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid with MolForge

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Related Compounds

1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43172484
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]-3-methylpentanoic acid
CID 43356536
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylpentanoic acid
CID 43618864
2-[cyclopropylmethyl-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid
CID 43655511
(2S,3S)-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3-methylpentanoic acid
CID 61131899
(2S)-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3-methylbutanoic acid
CID 61137603
(2S)-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-methylpentanoic acid
CID 61154320
(2S)-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3-methylpentanoic acid
CID 61174142
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylpropanoic acid
CID 61261505
4-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-methylpentanoic acid
CID 62041570

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid (CID 43360537) is 2-cyclopropyl-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid is Cc1nc(=O)[nH]c(C)c1CC(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid?
The InChIKey is IEHWYNJVDNGPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-7-10(8(2)16-13(21)15-7)6-11(18)17-14(3,12(19)20)9-4-5-9/h9H,4-6H2,1-3H3,(H,17,18)(H,19,20)(H,15,16,21).
What are the key properties of 2-cyclopropyl-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid?
2-cyclopropyl-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid has a molecular weight of 293.32 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 43360537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).