2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid

C12H17N3O4 — CID 43618689

IUPAC2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-3-5-12(2,10(17)18)14-9(16)8-15-7-4-6-13-11(15)19/h4,6-7H,3,5,8H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyLVERMQIRTYRTBO-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.00
Rot. Bonds6

About 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid

2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid (PubChem CID 43618689) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
PubChem CID43618689
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-3-5-12(2,10(17)18)14-9(16)8-15-7-4-6-13-11(15)19/h4,6-7H,3,5,8H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyLVERMQIRTYRTBO-UHFFFAOYSA-N
XLogP0.00
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid with MolForge

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Related Compounds

(2S)-4-methyl-2-(2H-pyrimidin-1-ylmethoxycarbonylamino)pentanoic acid
CID 142635089
4-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43170148
3-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43170393
1-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43172030
3-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43356432
1-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43360222
2-Cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43360373
4-Methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43360589
1-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 43360676
Methyl 4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate
CID 43431552
3,3-Dimethyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43467500
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43469357

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid (CID 43618689) is 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid is CCCC(C)(NC(=O)Cn1cccnc1=O)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid?
The InChIKey is LVERMQIRTYRTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-3-5-12(2,10(17)18)14-9(16)8-15-7-4-6-13-11(15)19/h4,6-7H,3,5,8H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid?
2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 43618689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).