2-methyl-2-[[2-oxo-2-(pyrimidin-2-ylamino)ethyl]amino]pentanoic acid

C12H18N4O3 — CID 43619378

IUPAC2-methyl-2-[[2-oxo-2-(pyrimidin-2-ylamino)ethyl]amino]pentanoic acid
SMILESCCCC(C)(NCC(=O)Nc1ncccn1)C(=O)O
InChIInChI=1S/C12H18N4O3/c1-3-5-12(2,10(18)19)15-8-9(17)16-11-13-6-4-7-14-11/h4,6-7,15H,3,5,8H2,1-2H3,(H,18,19)(H,13,14,16,17)
InChIKeyCPCSTERODBDSCL-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.65
Rot. Bonds7

About 2-methyl-2-[[2-oxo-2-(pyrimidin-2-ylamino)ethyl]amino]pentanoic acid

2-methyl-2-[[2-oxo-2-(pyrimidin-2-ylamino)ethyl]amino]pentanoic acid (PubChem CID 43619378) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-methyl-2-[[2-oxo-2-(pyrimidin-2-ylamino)ethyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-oxo-2-(pyrimidin-2-ylamino)ethyl]amino]pentanoic acid
PubChem CID43619378
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-methyl-2-[[2-oxo-2-(pyrimidin-2-ylamino)ethyl]amino]pentanoic acid
SMILESCCCC(C)(NCC(=O)Nc1ncccn1)C(=O)O
InChIInChI=1S/C12H18N4O3/c1-3-5-12(2,10(18)19)15-8-9(17)16-11-13-6-4-7-14-11/h4,6-7,15H,3,5,8H2,1-2H3,(H,18,19)(H,13,14,16,17)
InChIKeyCPCSTERODBDSCL-UHFFFAOYSA-N
XLogP0.65
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]pentanoic acid
CID 43619432
2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-2-methylpentanoic acid
CID 43619579
2-propyl-2-(pyrimidin-2-ylamino)propanedioic acid
CID 69469539
2-methyl-2-(quinolin-8-ylmethylamino)pentanoic acid
CID 43619541
2-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentanoic acid
CID 43619335
2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid
CID 79256791
2-methyl-2-[(2-quinolin-8-ylacetyl)amino]pentanoic acid
CID 120517066
N-pyrimidin-2-ylnonanamide
CID 4089811
N-pyrimidin-2-ylundecanamide
CID 4180610
N-pyrimidin-2-yltetradecanamide
CID 4052382
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79801477
2-anilino-2-methylpentanoic acid
CID 60992039

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-oxo-2-(pyrimidin-2-ylamino)ethyl]amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[[2-oxo-2-(pyrimidin-2-ylamino)ethyl]amino]pentanoic acid (CID 43619378) is 2-methyl-2-[[2-oxo-2-(pyrimidin-2-ylamino)ethyl]amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-oxo-2-(pyrimidin-2-ylamino)ethyl]amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[[2-oxo-2-(pyrimidin-2-ylamino)ethyl]amino]pentanoic acid is CCCC(C)(NCC(=O)Nc1ncccn1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-oxo-2-(pyrimidin-2-ylamino)ethyl]amino]pentanoic acid?
The InChIKey is CPCSTERODBDSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-3-5-12(2,10(18)19)15-8-9(17)16-11-13-6-4-7-14-11/h4,6-7,15H,3,5,8H2,1-2H3,(H,18,19)(H,13,14,16,17).
What are the key properties of 2-methyl-2-[[2-oxo-2-(pyrimidin-2-ylamino)ethyl]amino]pentanoic acid?
2-methyl-2-[[2-oxo-2-(pyrimidin-2-ylamino)ethyl]amino]pentanoic acid has a molecular weight of 266.30 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-oxo-2-(pyrimidin-2-ylamino)ethyl]amino]pentanoic acid is sourced from PubChem (CID 43619378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).