4-[(2-ethylpyrimidin-5-yl)carbamoylamino]-4-methylpentanoic acid

C13H20N4O3 — CID 122087422

IUPAC4-[(2-ethylpyrimidin-5-yl)carbamoylamino]-4-methylpentanoic acid
SMILESCCc1ncc(NC(=O)NC(C)(C)CCC(=O)O)cn1
InChIInChI=1S/C13H20N4O3/c1-4-10-14-7-9(8-15-10)16-12(20)17-13(2,3)6-5-11(18)19/h7-8H,4-6H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyPGZNVPVRVWJNRL-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.80
Rot. Bonds6

About 4-[(2-ethylpyrimidin-5-yl)carbamoylamino]-4-methylpentanoic acid

4-[(2-ethylpyrimidin-5-yl)carbamoylamino]-4-methylpentanoic acid (PubChem CID 122087422) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[(2-ethylpyrimidin-5-yl)carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(2-ethylpyrimidin-5-yl)carbamoylamino]-4-methylpentanoic acid
PubChem CID122087422
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name4-[(2-ethylpyrimidin-5-yl)carbamoylamino]-4-methylpentanoic acid
SMILESCCc1ncc(NC(=O)NC(C)(C)CCC(=O)O)cn1
InChIInChI=1S/C13H20N4O3/c1-4-10-14-7-9(8-15-10)16-12(20)17-13(2,3)6-5-11(18)19/h7-8H,4-6H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyPGZNVPVRVWJNRL-UHFFFAOYSA-N
XLogP1.80
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043312
4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid
CID 62050370
4-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 107576260
4-[(4-cyanophenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043313
4-methyl-4-[[1-(2-methylpropyl)pyrazol-4-yl]carbamoylamino]pentanoic acid
CID 122085895
4-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122076618
4-methyl-4-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoylamino]pentanoic acid
CID 122089266
4-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122085773
4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid
CID 122088445
4-[(3-carbamoylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 107809515
4-methyl-4-[(3-pyridin-2-yloxyphenyl)carbamoylamino]pentanoic acid
CID 122085969
4-[[4-(cyclopentylcarbamoyl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122076790

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylpyrimidin-5-yl)carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[(2-ethylpyrimidin-5-yl)carbamoylamino]-4-methylpentanoic acid (CID 122087422) is 4-[(2-ethylpyrimidin-5-yl)carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(2-ethylpyrimidin-5-yl)carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(2-ethylpyrimidin-5-yl)carbamoylamino]-4-methylpentanoic acid is CCc1ncc(NC(=O)NC(C)(C)CCC(=O)O)cn1.
What is the InChIKey of 4-[(2-ethylpyrimidin-5-yl)carbamoylamino]-4-methylpentanoic acid?
The InChIKey is PGZNVPVRVWJNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-4-10-14-7-9(8-15-10)16-12(20)17-13(2,3)6-5-11(18)19/h7-8H,4-6H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[(2-ethylpyrimidin-5-yl)carbamoylamino]-4-methylpentanoic acid?
4-[(2-ethylpyrimidin-5-yl)carbamoylamino]-4-methylpentanoic acid has a molecular weight of 280.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylpyrimidin-5-yl)carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 122087422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).